primary_name string | cas_number string | cid int64 | iupac_name string | canonical_smiles string | inchi string | inchi_key string | molecular_formula string | molecular_weight float64 | exact_mass float64 | xlogp float64 | tpsa float64 | complexity int64 | charge int64 | h_bond_donor_count int64 | h_bond_acceptor_count int64 | rotatable_bond_count int64 | heavy_atom_count int64 | flash_point string | boiling_point string | acute_aquatic_toxicity int64 | acute_toxicity_dermal int64 | acute_toxicity_inhalation int64 | acute_toxicity_oral int64 | aspiration_hazard int64 | carcinogenicity int64 | chronic_aquatic_toxicity int64 | eye_damage_irritation int64 | flammable_liquids int64 | flammable_solids int64 | germ_cell_mutagenicity int64 | metal_corrosion int64 | organic_peroxides int64 | reproductive_toxicity int64 | respiratory_sensitization int64 | self_reactive_substances int64 | skin_corrosion_irritation int64 | skin_sensitization int64 | stot_repeated_exposure int64 | stot_single_exposure int64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2-OCTYNOIC ACID, 3-METHYLBUTYL ESTER | 068555-60-2 | 110,542 | 3-methylbutyl oct-2-ynoate | CCCCCC#CC(=O)OCCC(C)C | InChI=1S/C13H22O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-7,10-11H2,1-3H3 | OTJSOSMJTUKXJR-UHFFFAOYSA-N | C13H22O2 | 210.31 | 210.16198 | 4.9 | 26.3 | 229 | 0 | 0 | 2 | 7 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
MOLYBDATE (MO7O246-), COBALT(3+) (2:1) | 068647-47-2 | 173,030 | cobalt(3+);bis(dioxido(dioxo)molybdenum) | [O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[Co+3] | InChI=1S/Co.2Mo.8O/q+3;;;;;;;4*-1 | MYWRFEYRJSBDKP-UHFFFAOYSA-N | CoMo2O8- | 378.8 | 380.702589 | null | 161 | 62 | -1 | 0 | 8 | 0 | 11 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 |
PROPANENITRILE, 3-[1-[DIFLUORO[(TRIFLUOROETHENYL)OXY]METHYL]-1,2,2,2-TETRAFLUO | 069804-19-9 | 112,160 | 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanenitrile | C(#N)C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F | InChI=1S/C8F13NO2/c9-2(10)3(11)23-8(20,21)5(14,6(15,16)17)24-7(18,19)4(12,13)1-22 | LYIPDZSLYLDLCU-UHFFFAOYSA-N | C8F13NO2 | 389.07 | 388.972144 | 4.5 | 42.3 | 554 | 0 | 0 | 16 | 6 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
PHOSPHONIC ACID, DIISOTRIDECYL ESTER | 070955-74-7 | 6,335,864 | bis(11-methyldodecoxy)-oxophosphanium | CC(C)CCCCCCCCCCO[P+](=O)OCCCCCCCCCCC(C)C | InChI=1S/C26H54O3P/c1-25(2)21-17-13-9-5-7-11-15-19-23-28-30(27)29-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3/q+1 | XBDBIQSNODOCIR-UHFFFAOYSA-N | C26H54O3P+ | 445.7 | 445.381058 | 11.6 | 35.5 | 326 | 1 | 0 | 3 | 24 | 30 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
3-HEPTEN-2-ONE, 5-ETHYL- | 071648-42-5 | 98,145 | 5-ethylhept-3-en-2-one | CCC(CC)C=CC(=O)C | InChI=1S/C9H16O/c1-4-9(5-2)7-6-8(3)10/h6-7,9H,4-5H2,1-3H3 | MTNXTOAQNAWJRM-UHFFFAOYSA-N | C9H16O | 140.22 | 140.120115 | 2.6 | 17.1 | 121 | 0 | 0 | 1 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
HEXANE, 1,1-DIMETHOXY-3,5,5-TRIMETHYL- | 072894-13-4 | 166,344 | 1,1-dimethoxy-3,5,5-trimethylhexane | CC(CC(OC)OC)CC(C)(C)C | InChI=1S/C11H24O2/c1-9(8-11(2,3)4)7-10(12-5)13-6/h9-10H,7-8H2,1-6H3 | OKMANJUJOSTZGX-UHFFFAOYSA-N | C11H24O2 | 188.31 | 188.17763 | 3.5 | 18.5 | 123 | 0 | 0 | 2 | 6 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
CHROMIUM (+3) | 016065-83-1 | 27,668 | chromium(3+) | [Cr+3] | InChI=1S/Cr/q+3 | BFGKITSFLPAWGI-UHFFFAOYSA-N | Cr+3 | 51.996 | 51.940505 | null | 0 | 0 | 3 | 0 | 0 | 0 | 1 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
CHLORIDE | 016887-00-6 | 312 | chloride | [Cl-] | InChI=1S/ClH/h1H/p-1 | VEXZGXHMUGYJMC-UHFFFAOYSA-M | Cl- | 35.45 | 34.968853 | 0.8 | 0 | 0 | -1 | 0 | 1 | 0 | 1 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
TRIS(2-HYDROXYETHYL)AMMONIUM HYDROGEN MALEATE | 041397-50-6 | 6,451,725 | 2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-but-2-enedioic acid | C(CO)N(CCO)CCO.C(=C\C(=O)O)\C(=O)O | InChI=1S/C6H15NO3.C4H4O4/c8-4-1-7(2-5-9)3-6-10;5-3(6)1-2-4(7)8/h8-10H,1-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1- | AFNWOEJOULWFIS-BTJKTKAUSA-N | C10H19NO7 | 265.26 | 265.116152 | null | 139 | 175 | 0 | 5 | 8 | 8 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ZIRCONIUM(IV) HYDROGENPHOSPHATE | 013772-29-7 | 166,903 | zirconium(4+) diphosphate | [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Zr+4] | InChI=1S/2H3O4P.Zr/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+4/p-6 | QOKYJGZIKILTCY-UHFFFAOYSA-H | O8P2Zr-2 | 281.16 | 279.81154 | null | 173 | 36 | -2 | 0 | 8 | 0 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
TRIMETHOXYVINYLSILANE | 002768-02-7 | 76,004 | ethenyl(trimethoxy)silane | CO[Si](C=C)(OC)OC | InChI=1S/C5H12O3Si/c1-5-9(6-2,7-3)8-4/h5H,1H2,2-4H3 | NKSJNEHGWDZZQF-UHFFFAOYSA-N | C5H12O3Si | 148.23 | 148.055571 | null | 27.7 | 81 | 0 | 0 | 3 | 4 | 9 | 25.5°C | 123°C at 1013 hPa (converted to 101.3 kPa) (760 mm Hg) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ETHYL MALEATE | 000141-05-9 | 5,271,566 | diethyl (Z)-but-2-enedioate | CCOC(=O)/C=C\C(=O)OCC | InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5- | IEPRKVQEAMIZSS-WAYWQWQTSA-N | C8H12O4 | 172.18 | 172.073559 | 0.9 | 52.6 | 163 | 0 | 0 | 4 | 6 | 12 | null | 218.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
METHYL CAPRYLATE | 000111-11-5 | 8,091 | methyl octanoate | CCCCCCCC(=O)OC | InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 | JGHZJRVDZXSNKQ-UHFFFAOYSA-N | C9H18O2 | 158.24 | 158.13068 | 3.6 | 26.3 | 99 | 0 | 0 | 2 | 7 | 11 | null | 192.9 °C @ 760 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
HEXANEPEROXOIC ACID, 2-ETHYL-, 1,1-DIMETHYLETHYL ESTER | 003006-82-4 | 102,924 | tert-butyl 2-ethylhexaneperoxoate | CCCCC(CC)C(=O)OOC(C)(C)C | InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3 | WYKYCHHWIJXDAO-UHFFFAOYSA-N | C12H24O3 | 216.32 | 216.172545 | 4 | 35.5 | 182 | 0 | 0 | 3 | 8 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 |
MANEB | 012427-38-2 | 3,032,581 | manganese(2+);N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate | C(CNC(=S)[S-])NC(=S)[S-].[Mn+2] | InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2 | YKSNLCVSTHTHJA-UHFFFAOYSA-L | C4H6MnN2S4 | 265.3 | 264.879426 | null | 90.2 | 108 | 0 | 2 | 4 | 3 | 11 | null | null | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 |
COBALT(II) NITRATE | 010141-05-6 | 25,000 | cobalt(2+) dinitrate | [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Co+2] | InChI=1S/Co.2NO3/c;2*2-1(3)4/q+2;2*-1 | UFMZWBIQTDUYBN-UHFFFAOYSA-N | CoN2O6 | 182.94 | 182.908829 | null | 126 | 18 | 0 | 0 | 6 | 0 | 9 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 |
GLYOXYLIC ACID, 50 WT. % SOLUTION IN WATER | null | 760 | oxaldehydic acid | C(=O)C(=O)O | InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5) | HHLFWLYXYJOTON-UHFFFAOYSA-N | C2H2O3 | 74.04 | 74.000394 | -0.3 | 54.4 | 55 | 0 | 1 | 3 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
SODIUM DICHROMATE DIHYDRATE | 007789-12-0 | 108,005 | disodium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;dihydrate | O.O.[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Na+].[Na+] | InChI=1S/2Cr.2Na.2H2O.7O/h;;;;2*1H2;;;;;;;/q;;2*+1;;;;;;;;2*-1 | JYDRNIYTFCBIFC-UHFFFAOYSA-N | Cr2H4Na2O9 | 298 | 297.84608 | null | 126 | 194 | 0 | 2 | 9 | 0 | 13 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
NICKEL 2-ETHYLHEXANOATE | 004454-16-4 | 107,553 | bis(2-ethylhexanoate);nickel(2+) | CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ni+2] | InChI=1S/2C8H16O2.Ni/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2 | UVPKUTPZWFHAHY-UHFFFAOYSA-L | C16H30NiO4 | 345.1 | 344.149751 | null | 80.3 | 93 | 0 | 0 | 4 | 8 | 21 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
COBALT(II) ACETATE | 000071-48-7 | 6,277 | cobalt(2+) diacetate | CC(=O)[O-].CC(=O)[O-].[Co+2] | InChI=1S/2C2H4O2.Co/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2 | QAHREYKOYSIQPH-UHFFFAOYSA-L | C4H6CoO4 | 177.02 | 176.959802 | null | 80.3 | 25 | 0 | 0 | 4 | 0 | 9 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 |
OCTADECANOIC ACID, NICKEL(2+) SALT | 002223-95-2 | 160,624 | nickel(2+);bis(octadecanoate) | CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ni+2] | InChI=1S/2C18H36O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2 | JMWUYEFBFUCSAK-UHFFFAOYSA-L | C36H70NiO4 | 625.6 | 624.462752 | null | 80.3 | 196 | 0 | 0 | 4 | 30 | 41 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
HEXANOIC ACID, 2-ETHYL-, NICKEL SALT | 007580-31-6 | 24,231 | 2-ethylhexanoic acid;nickel | CCCCC(CC)C(=O)O.[Ni] | InChI=1S/C8H16O2.Ni/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); | XRBQEYWBWZFUIJ-UHFFFAOYSA-N | C8H16NiO2 | 202.9 | 202.050371 | null | 37.3 | 99 | 0 | 1 | 2 | 5 | 11 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
TETRAFLUOROBORATE(1-) NICKEL(2+) (2:1) | 014708-14-6 | 61,765 | nickel(2+) ditetrafluoroborate | [B-](F)(F)(F)F.[B-](F)(F)(F)F.[Ni+2] | InChI=1S/2BF4.Ni/c2*2-1(3,4)5;/q2*-1;+2 | UTWSZAKRMXIKQI-UHFFFAOYSA-N | B2F8Ni | 232.31 | 231.941177 | null | 0 | 19 | 0 | 0 | 10 | 0 | 11 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
OCTANOIC ACID, COBALT SALT | 006700-85-2 | 62,617 | cobalt;octanoate | CCCCCCCC(=O)[O-].[Co] | InChI=1S/C8H16O2.Co/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/p-1 | IJRCPFFFTCYQMF-UHFFFAOYSA-M | C8H15CoO2- | 202.14 | 202.040398 | null | 40.1 | 83 | -1 | 0 | 2 | 5 | 11 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
NICKEL PHOSPHIDE | 012035-64-2 | 166,013 | tris(nickel(2+));bis(phosphorus(3-)) | [P-3].[P-3].[Ni+2].[Ni+2].[Ni+2] | InChI=1S/3Ni.2P/q3*+2;2*-3 | JCZGSHVDNCPPKK-UHFFFAOYSA-N | Ni3P2 | 238.028 | 237.748992 | null | 0 | 0 | 0 | 0 | 2 | 0 | 5 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
COBALT METAL | 007440-48-4 | 104,730 | cobalt | [Co] | InChI=1S/Co | GUTLYIVDDKVIGB-UHFFFAOYSA-N | Co | 58.93319 | 58.933194 | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | null | 5198 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 |
CHROMIC ACID (CRVI) | 013530-68-2 | 26,090 | hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium | O[Cr](=O)(=O)O[Cr](=O)(=O)O | InChI=1S/2Cr.2H2O.5O/h;;2*1H2;;;;;/q2*+1;;;;;;;/p-2 | CMMUKUYEPRGBFB-UHFFFAOYSA-L | Cr2H2O7 | 218 | 217.861062 | null | 118 | 221 | 0 | 2 | 7 | 2 | 9 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
1,4-BUTANEDIOL DIMETHACRYLATE | 002082-81-7 | 16,387 | 4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate | CC(=C)C(=O)OCCCCOC(=O)C(=C)C | InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3 | XOJWAAUYNWGQAU-UHFFFAOYSA-N | C12H18O4 | 226.27 | 226.120509 | 3.2 | 52.6 | 261 | 0 | 0 | 4 | 9 | 16 | null | 110 °C @ 3 MM HG | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (S)- | 000126-90-9 | 67,179 | (3S)-3,7-dimethylocta-1,6-dien-3-ol | CC(=CCC[C@@](C)(C=C)O)C | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1 | CDOSHBSSFJOMGT-SNVBAGLBSA-N | C10H18O | 154.25 | 154.135765 | 2.7 | 20.2 | 154 | 0 | 1 | 1 | 4 | 11 | null | 187.00 to 199.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ADIPIC ACID DIHYDRAZIDE | 001071-93-8 | 66,117 | hexanedihydrazide | C(CCC(=O)NN)CC(=O)NN | InChI=1S/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12) | IBVAQQYNSHJXBV-UHFFFAOYSA-N | C6H14N4O2 | 174.2 | 174.111676 | -2.1 | 110 | 142 | 0 | 4 | 4 | 5 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
LITHIUM COBALTITE | 012190-79-3 | 23,670,860 | lithium oxido(oxo)cobalt | [Li+].[O-][Co]=O | InChI=1S/Co.Li.2O/q;+1;;-1 | BFZPBUKRYWOWDV-UHFFFAOYSA-N | CoLiO2 | 97.9 | 97.939026 | null | 40.1 | 13 | 0 | 0 | 2 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 |
COBALT MOLYBDATE | 013762-14-6 | 61,675 | cobalt(2+);dioxido(dioxo)molybdenum | [O-][Mo](=O)(=O)[O-].[Co+2] | InChI=1S/Co.Mo.4O/q+2;;;;2*-1 | KYYSIVCCYWZZLR-UHFFFAOYSA-N | CoMoO4 | 218.88 | 220.818256 | null | 80.3 | 62 | 0 | 0 | 4 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 |
NICKEL MONOSULFIDE | 016812-54-7 | 28,094 | sulfanylidenenickel | S=[Ni] | InChI=1S/Ni.S | WWNBZGLDODTKEM-UHFFFAOYSA-N | NiS | 90.76 | 89.907413 | null | 32.1 | 2 | 0 | 0 | 1 | 0 | 2 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
C.I. PIGMENT YELLOW 34 | 001344-37-2 | 138,394,846 | dioxido(dioxo)chromium;bis(lead(2+));sulfate | [O-]S(=O)(=O)[O-].[O-][Cr](=O)(=O)[O-].[Pb+2].[Pb+2] | InChI=1S/Cr.H2O4S.4O.2Pb/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);;;;;;/q;;;;2*-1;2*+2/p-2 | APAIXFDPIJWPBF-UHFFFAOYSA-L | CrO8Pb2S | 630 | 627.8252 | null | 169 | 124 | 0 | 0 | 8 | 0 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 1 |
COBALTOUS ACETATE TETRAHYDRATE | 006147-53-1 | 61,372 | cobalt(2+);diacetate;tetrahydrate | CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Co+2] | InChI=1S/2C2H4O2.Co.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2 | ZBYYWKJVSFHYJL-UHFFFAOYSA-L | C4H14CoO8 | 249.08 | 249.002061 | null | 84.3 | 25 | 0 | 4 | 8 | 0 | 13 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 |
MANCOZEB | 008018-01-7 | 3,034,368 | zinc;manganese(2+);bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate) | C(CNC(=S)[S-])NC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].[Mn+2].[Zn+2] | InChI=1S/2C4H8N2S4.Mn.Zn/c2*7-3(8)5-1-2-6-4(9)10;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;2*+2/p-4 | CHNQZRKUZPNOOH-UHFFFAOYSA-J | C8H12MnN4S8Zn | 541.1 | 538.749951 | null | 180 | 108 | 0 | 4 | 8 | 6 | 22 | 138 °C (280 °F) | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 |
CHROMIUM METAL (SOLID) | 007440-47-3 | 23,976 | chromium | [Cr] | InChI=1S/Cr | VYZAMTAEIAYCRO-UHFFFAOYSA-N | Cr | 51.996 | 51.940505 | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | null | 4788 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 |
11,14-DIOXA-2,9-DIAZAHEPTADEC-16-ENOIC ACID, 4,4,6,16-TETRAMETHYL-10,15-DIOXO- | 041137-60-4 | 170,472 | 2-[[3,5,5-trimethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate | CC(CCNC(=O)OCCOC(=O)C(=C)C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C | InChI=1S/C23H38N2O8/c1-16(2)19(26)30-10-12-32-21(28)24-9-8-18(5)14-23(6,7)15-25-22(29)33-13-11-31-20(27)17(3)4/h18H,1,3,8-15H2,2,4-7H3,(H,24,28)(H,25,29) | UEKHZPDUBLCUHN-UHFFFAOYSA-N | C23H38N2O8 | 470.6 | 470.262816 | 4.1 | 129 | 703 | 0 | 2 | 8 | 19 | 33 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
SUCCINIC ACID | 000110-15-6 | 1,110 | butanedioic acid | C(CC(=O)O)C(=O)O | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) | KDYFGRWQOYBRFD-UHFFFAOYSA-N | C4H6O4 | 118.09 | 118.026609 | -0.6 | 74.6 | 92 | 0 | 2 | 4 | 3 | 8 | 160 °C (open cup) | 455 °F at 760 mmHg (Decomposes) (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
GLYCINE ETHYL ESTER HYDROCHLORIDE | 000623-33-6 | 2,723,640 | ethyl 2-aminoacetate;hydrochloride | CCOC(=O)CN.Cl | InChI=1S/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H | TXTWXQXDMWILOF-UHFFFAOYSA-N | C4H10ClNO2 | 139.58 | 139.040006 | null | 52.3 | 62 | 0 | 2 | 3 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
MAGNESIUM SILICATE | 001343-88-0 | 72,941,442 | magnesium;tris(oxygen(2-));silicon(4+) | [O-2].[O-2].[O-2].[Mg+2].[Si+4] | InChI=1S/Mg.3O.Si/q+2;3*-2;+4 | ZADYMNAVLSWLEQ-UHFFFAOYSA-N | MgO3Si | 100.39 | 99.946712 | null | 3 | 0 | 0 | 0 | 3 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
POTASSIUM SULFATE | 007778-80-5 | 24,507 | dipotassium;sulfate | [O-]S(=O)(=O)[O-].[K+].[K+] | InChI=1S/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2 | OTYBMLCTZGSZBG-UHFFFAOYSA-L | K2O4S | 174.26 | 173.879143 | null | 88.6 | 62 | 0 | 0 | 4 | 0 | 7 | null | 1689 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYL PENTADECANOATE | 007132-64-1 | 23,518 | methyl pentadecanoate | CCCCCCCCCCCCCCC(=O)OC | InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3 | XIUXKAZJZFLLDQ-UHFFFAOYSA-N | C16H32O2 | 256.42 | 256.24023 | 7.4 | 26.3 | 178 | 0 | 0 | 2 | 14 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYL TETRACOSANOATE | 002442-49-1 | 75,546 | methyl tetracosanoate | CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC | InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3 | XUDJZDNUVZHSKZ-UHFFFAOYSA-N | C25H50O2 | 382.7 | 382.381081 | 12.3 | 26.3 | 288 | 0 | 0 | 2 | 23 | 27 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
LAURIC ACID MONOETHANOLAMIDE | 000142-78-9 | 8,899 | N-(2-hydroxyethyl)dodecanamide | CCCCCCCCCCCC(=O)NCCO | InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15-12-13-16/h16H,2-13H2,1H3,(H,15,17) | QZXSMBBFBXPQHI-UHFFFAOYSA-N | C14H29NO2 | 243.39 | 243.219829 | 4 | 49.3 | 172 | 0 | 2 | 2 | 12 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETYLTHIOCHOLINE CHLORIDE | 006050-81-3 | 22,411 | 2-acetylsulfanylethyl(trimethyl)azanium chloride | CC(=O)SCC[N+](C)(C)C.[Cl-] | InChI=1S/C7H16NOS.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1 | GZYVLKKMMDFCKR-UHFFFAOYSA-M | C7H16ClNOS | 197.73 | 197.064113 | null | 42.4 | 117 | 0 | 0 | 3 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
POLY(PHENYLMETHYLSILOXANE), VINYL TERMINATED | 225927-21-9 | 87,390 | bis[[ethenyl(dimethyl)silyl]oxy]-dimethylsilane | C[Si](C)(C=C)O[Si](C)(C)O[Si](C)(C)C=C | InChI=1S/C10H24O2Si3/c1-9-13(3,4)11-15(7,8)12-14(5,6)10-2/h9-10H,1-2H2,3-8H3 | MFWYAJVOUCTAQI-UHFFFAOYSA-N | C10H24O2Si3 | 260.55 | 260.10841 | null | 18.5 | 223 | 0 | 0 | 2 | 6 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N-CARBAMYL-A-AMINO-ISOBUTYRIC ACID | 038605-63-9 | 4,155,322 | 2-(carbamoylamino)-2-methylpropanoic acid | CC(C)(C(=O)O)NC(=O)N | InChI=1S/C5H10N2O3/c1-5(2,3(8)9)7-4(6)10/h1-2H3,(H,8,9)(H3,6,7,10) | FMXWPTBQTITILA-UHFFFAOYSA-N | C5H10N2O3 | 146.14 | 146.069142 | -0.8 | 92.4 | 164 | 0 | 3 | 3 | 2 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CALCIUM FORMATE | 000544-17-2 | 10,997 | calcium diformate | C(=O)[O-].C(=O)[O-].[Ca+2] | InChI=1S/2CH2O2.Ca/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2 | CBOCVOKPQGJKKJ-UHFFFAOYSA-L | C2H2CaO4 | 130.11 | 129.957899 | null | 80.3 | 7 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HEPTAFLUOROBUTANOIC ACID SILVER(1+) SALT | 003794-64-7 | 19,628 | silver 2,2,3,3,4,4,4-heptafluorobutanoate | C(=O)(C(C(C(F)(F)F)(F)F)(F)F)[O-].[Ag+] | InChI=1S/C4HF7O2.Ag/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13);/q;+1/p-1 | GPNIJXACCBKBEP-UHFFFAOYSA-M | C4AgF7O2 | 320.9 | 319.88374 | null | 40.1 | 212 | 0 | 0 | 9 | 1 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ALPHA.-[3,5-DIMETHYL-1-(2-METHYLPROPYL)HEXYL]-OMEGA-HYDROXYPOLY(OXY-1,2-ETHANEDIYL) [TERGITOL TMN-6] | 060828-78-6 | 24,982 | 2-(2,6,8-trimethylnonan-4-yloxy)ethanol | CC(C)CC(C)CC(CC(C)C)OCCO | InChI=1S/C14H30O2/c1-11(2)8-13(5)10-14(9-12(3)4)16-7-6-15/h11-15H,6-10H2,1-5H3 | VKKFWRYCMZBXIG-UHFFFAOYSA-N | C14H30O2 | 230.39 | 230.22458 | 4.2 | 29.5 | 155 | 0 | 1 | 2 | 9 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SODIUM BISULFATE MONOHYDRATE | 010034-88-5 | 23,673,662 | sodium;hydrogen sulfate;hydrate | O.OS(=O)(=O)[O-].[Na+] | InChI=1S/Na.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+1;;/p-1 | JXHZRQHZVYDRGX-UHFFFAOYSA-M | H3NaO5S | 138.08 | 137.959889 | null | 86.8 | 93 | 0 | 2 | 5 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N-(2-HYDROXYETHYL)PROP-2-ENAMIDE | 007646-67-5 | 193,628 | N-(2-hydroxyethyl)prop-2-enamide | C=CC(=O)NCCO | InChI=1S/C5H9NO2/c1-2-5(8)6-3-4-7/h2,7H,1,3-4H2,(H,6,8) | UUORTJUPDJJXST-UHFFFAOYSA-N | C5H9NO2 | 115.13 | 115.063329 | -0.6 | 49.3 | 90 | 0 | 2 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
3-ETHYLMALIC ACID | 016048-76-3 | 439,619 | 2-ethyl-3-hydroxybutanedioic acid | CCC(C(C(=O)O)O)C(=O)O | InChI=1S/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11) | JUCRENBZZQKFGK-UHFFFAOYSA-N | C6H10O5 | 162.14 | 162.052823 | -0.4 | 94.8 | 164 | 0 | 3 | 5 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-HYDROXY-3-METHYLBUTANEDIOIC ACID | 000608-41-3 | 558,882 | 2-hydroxy-3-methylbutanedioic acid | CC(C(C(=O)O)O)C(=O)O | InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10) | NPYQJIHHTGFBLN-UHFFFAOYSA-N | C5H8O5 | 148.11 | 148.037173 | -0.8 | 94.8 | 152 | 0 | 3 | 5 | 3 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-((AMINOCARBONYL)AMINO)-2-METHYLPROPANOIC ACID | 002905-86-4 | 160,663 | 3-(carbamoylamino)-2-methylpropanoic acid | CC(CNC(=O)N)C(=O)O | InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10) | PHENTZNALBMCQD-UHFFFAOYSA-N | C5H10N2O3 | 146.14 | 146.069142 | -1 | 92.4 | 146 | 0 | 3 | 3 | 3 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2,2'-(OXYBIS(2,1-ETHANEDIYLOXY))BISACETIC ACID | 013887-98-4 | 83,793 | 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]acetic acid | C(COCC(=O)O)OCCOCC(=O)O | InChI=1S/C8H14O7/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) | HJZZQNLKBWJYPD-UHFFFAOYSA-N | C8H14O7 | 222.19 | 222.073953 | -1 | 102 | 171 | 0 | 2 | 7 | 10 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ALUMINUM FUMARATE | 132041-53-3 | 169,407,959 | dialuminum;(Z)-but-2-enedioate;bis((E)-but-2-enedioate) | C(=C/C(=O)[O-])\C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-].C(=C\C(=O)[O-])\C(=O)[O-].[Al+3].[Al+3] | InChI=1S/3C4H4O4.2Al/c3*5-3(6)1-2-4(7)8;;/h3*1-2H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6/b2*2-1+;2-1-;; | MTEWCUZXTGXLQX-FHMZRGQISA-H | C12H6Al2O12 | 396.13 | 395.949002 | null | 241 | 108 | 0 | 0 | 12 | 0 | 26 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,3-PROPANEDIOL, 2-AMINO-2-ETHYL- | 000115-70-8 | 8,282 | 2-amino-2-ethylpropane-1,3-diol | CCC(CO)(CO)N | InChI=1S/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3 | IOAOAKDONABGPZ-UHFFFAOYSA-N | C5H13NO2 | 119.16 | 119.094629 | -1.3 | 66.5 | 61 | 0 | 3 | 3 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-HEPTENE, 2,2,4,6,6-PENTAMETHYL- | 000123-48-8 | 31,259 | 2,2,4,6,6-pentamethylhept-3-ene | CC(=CC(C)(C)C)CC(C)(C)C | InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3 | NBUMCEJRJRRLCA-UHFFFAOYSA-N | C12H24 | 168.32 | 168.187801 | 5.2 | 0 | 159 | 0 | 0 | 0 | 3 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETIC ACID, SODIUM SALT (2:1) | 000126-96-5 | 23,662,384 | sodium;acetic acid;acetate | CC(=O)O.CC(=O)[O-].[Na+] | InChI=1S/2C2H4O2.Na/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1 | BHZOKUMUHVTPBX-UHFFFAOYSA-M | C4H7NaO4 | 142.09 | 142.024203 | null | 77.4 | 65 | 0 | 1 | 4 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TETRADECANAMIDE, N-(2-HYDROXYETHYL)- | 000142-58-5 | 8,890 | N-(2-hydroxyethyl)tetradecanamide | CCCCCCCCCCCCCC(=O)NCCO | InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18/h18H,2-15H2,1H3,(H,17,19) | JHIXEZNTXMFXEK-UHFFFAOYSA-N | C16H33NO2 | 271.44 | 271.251129 | 5.1 | 49.3 | 195 | 0 | 2 | 2 | 14 | 19 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,3-PROPANEDIOL, 2-METHYL-2-(1-METHYLPROPYL)- | 000813-60-5 | 98,076 | 2-butan-2-yl-2-methylpropane-1,3-diol | CCC(C)C(C)(CO)CO | InChI=1S/C8H18O2/c1-4-7(2)8(3,5-9)6-10/h7,9-10H,4-6H2,1-3H3 | MSRXHJALEMAKGB-UHFFFAOYSA-N | C8H18O2 | 146.23 | 146.13068 | 1.4 | 40.5 | 87 | 0 | 2 | 2 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 |
PROPANOIC ACID, 3-HYDROXY-2,2-DIMETHYL-, 3-HYDROXY-2,2-DIMETHYLPROPYL ESTER | 001115-20-4 | 14,218 | (3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate | CC(C)(CO)COC(=O)C(C)(C)CO | InChI=1S/C10H20O4/c1-9(2,5-11)7-14-8(13)10(3,4)6-12/h11-12H,5-7H2,1-4H3 | SZCWBURCISJFEZ-UHFFFAOYSA-N | C10H20O4 | 204.26 | 204.136159 | 0.8 | 66.8 | 196 | 0 | 2 | 4 | 6 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ALUMINUM HYDROXIDE SULFATE (AL(OH)(SO4)) | 001332-73-6 | 159,381 | aluminum;hydroxide;sulfate | [OH-].[O-]S(=O)(=O)[O-].[Al+3] | InChI=1S/Al.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+3;;/p-3 | STNCDALPBBWSTC-UHFFFAOYSA-K | AlHO5S | 140.05 | 139.936008 | null | 89.6 | 62 | 0 | 1 | 5 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
NONANEDIOIC ACID, DIMETHYL ESTER | 001732-10-1 | 15,612 | dimethyl nonanedioate | COC(=O)CCCCCCCC(=O)OC | InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3 | DRUKNYVQGHETPO-UHFFFAOYSA-N | C11H20O4 | 216.27 | 216.136159 | 2.5 | 52.6 | 169 | 0 | 0 | 4 | 10 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SILICIC ACID (H4SIO4), TETRAKIS(1-METHYLETHYL) ESTER | 001992-48-9 | 74,813 | tetrapropan-2-yl silicate | CC(C)O[Si](OC(C)C)(OC(C)C)OC(C)C | InChI=1S/C12H28O4Si/c1-9(2)13-17(14-10(3)4,15-11(5)6)16-12(7)8/h9-12H,1-8H3 | ZUEKXCXHTXJYAR-UHFFFAOYSA-N | C12H28O4Si | 264.43 | 264.175686 | null | 36.9 | 159 | 0 | 0 | 4 | 8 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-PROPENE-1-SULFONIC ACID, SODIUM SALT | 002495-39-8 | 23,690,996 | sodium prop-2-ene-1-sulfonate | C=CCS(=O)(=O)[O-].[Na+] | InChI=1S/C3H6O3S.Na/c1-2-3-7(4,5)6;/h2H,1,3H2,(H,4,5,6);/q;+1/p-1 | DIKJULDDNQFCJG-UHFFFAOYSA-M | C3H5NaO3S | 144.13 | 143.98571 | null | 65.6 | 142 | 0 | 0 | 3 | 2 | 8 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HEXANEDIOIC ACID, 2,2,4-TRIMETHYL- | 003586-39-8 | 103,783 | 2,2,4-trimethylhexanedioic acid | CC(CC(=O)O)CC(C)(C)C(=O)O | InChI=1S/C9H16O4/c1-6(4-7(10)11)5-9(2,3)8(12)13/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13) | DWFUTNJGNBYHNN-UHFFFAOYSA-N | C9H16O4 | 188.22 | 188.104859 | 1.3 | 74.6 | 208 | 0 | 2 | 4 | 5 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DODECANOIC ACID, 2-SULFO-, 1-METHYL ESTER, SODIUM SALT | 004016-21-1 | 87,064,044 | null | CCCCCCCCCCC(C(=O)OC)S(=O)(=O)O.[Na] | InChI=1S/C13H26O5S.Na/c1-3-4-5-6-7-8-9-10-11-12(13(14)18-2)19(15,16)17;/h12H,3-11H2,1-2H3,(H,15,16,17); | QJNQZLCZCZEFAW-UHFFFAOYSA-N | C13H26NaO5S | 317.4 | 317.139864 | null | 89.1 | 331 | 0 | 1 | 5 | 12 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPANOIC ACID, 2-MERCAPTO-2-METHYL- | 004695-31-2 | 78,421 | 2-methyl-2-sulfanylpropanoic acid | CC(C)(C(=O)O)S | InChI=1S/C4H8O2S/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6) | JTMBCYAUSCBSEY-UHFFFAOYSA-N | C4H8O2S | 120.17 | 120.024501 | 0.7 | 38.3 | 87 | 0 | 2 | 3 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PHOSPHORIC ACID, BIS(2-ETHYLHEXYL) ESTER, AMMONIUM SALT | 004971-47-5 | 160,772 | azanium bis(2-ethylhexyl) phosphate | CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.[NH4+] | InChI=1S/C16H35O4P.H3N/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);1H3 | AIJDCDQXDPERNG-UHFFFAOYSA-N | C16H38NO4P | 339.45 | 339.253846 | null | 59.6 | 251 | 0 | 1 | 4 | 14 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
FORMIC ACID, ALUMINUM SALT | 007360-53-4 | 62,632 | aluminum triformate | C(=O)[O-].C(=O)[O-].C(=O)[O-].[Al+3] | InChI=1S/3CH2O2.Al/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3 | MJWPFSQVORELDX-UHFFFAOYSA-K | C3H3AlO6 | 162.03 | 161.974501 | null | 120 | 7 | 0 | 0 | 6 | 0 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PHOSPHORIC ACID, MAGNESIUM SALT (2:1) | 013092-66-5 | 6,096,959 | magnesium bis(dihydrogen phosphate) | OP(=O)(O)[O-].OP(=O)(O)[O-].[Mg+2] | InChI=1S/Mg.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2 | QQFLQYOOQVLGTQ-UHFFFAOYSA-L | H4MgO8P2 | 218.28 | 217.923183 | null | 161 | 49 | 0 | 4 | 8 | 0 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
(OC-6-11)-HEXAKIS(CYANO-KAPPAC)-COBALTATE(3-), ZINC (2:3) | 014049-79-7 | 161,020 | dizinc;tris(cobalt(3+));octadecacyanide | [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Co+3].[Co+3].[Co+3].[Zn+2].[Zn+2] | InChI=1S/18CN.3Co.2Zn/c18*1-2;;;;;/q18*-1;3*+3;2*+2 | BZTFNYWVAOTQFT-UHFFFAOYSA-N | C18Co3N18Zn2-5 | 775.9 | 774.71009 | null | 428 | 10 | -5 | 0 | 36 | 0 | 41 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-OCTEN-3-OL, 3,7-DIMETHYL- | 018479-49-7 | 86,748 | 3,7-dimethyloct-1-en-3-ol | CC(C)CCCC(C)(C=C)O | InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h5,9,11H,1,6-8H2,2-4H3 | IUDWWFNDSJRYRV-UHFFFAOYSA-N | C10H20O | 156.26 | 156.151415 | 3 | 20.2 | 118 | 0 | 1 | 1 | 5 | 11 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-HEXADECANOL, DIHYDROGEN PHOSPHATE, MONOPOTASSIUM SALT | 019035-79-1 | 23,672,321 | potassium hexadecyl hydrogen phosphate | CCCCCCCCCCCCCCCCOP(=O)(O)[O-].[K+] | InChI=1S/C16H35O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+1/p-1 | RMGVATURDVPNOZ-UHFFFAOYSA-M | C16H34KO4P | 360.51 | 360.183178 | null | 69.6 | 265 | 0 | 1 | 4 | 16 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HEXANOIC ACID, 3-HYDROXY-, METHYL ESTER | 021188-58-9 | 519,845 | methyl 3-hydroxyhexanoate | CCCC(CC(=O)OC)O | InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3 | ACCRBMDJCPPJDX-UHFFFAOYSA-N | C7H14O3 | 146.18 | 146.094294 | 0.7 | 46.5 | 101 | 0 | 1 | 3 | 5 | 10 | null | 220.00 to 221.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ETHANAMINIUM, N-(2-HYDROXYETHYL)-N-METHYL-2-[(1-OXOOCTADECYL)OXY]-N-[2-[(1-OXO | 032208-04-1 | 21,124,016 | 2-hydroxyethyl-methyl-bis(2-octadecanoyloxyethyl)azanium;methyl sulfate | CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-] | InChI=1S/C43H86NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-40-37-44(3,36-39-45)38-41-49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h45H,4-41H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1 | FPKBRMRMNGYJLA-UHFFFAOYSA-M | C44H89NO9S | 808.2 | 807.625805 | null | 148 | 738 | 0 | 1 | 9 | 42 | 55 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ETHANESULFONIC ACID, 2-[(2-AMINOETHYL)AMINO]-, MONOSODIUM SALT | 034730-59-1 | 23,686,675 | sodium 2-(2-aminoethylamino)ethanesulfonate | C(CNCCS(=O)(=O)[O-])N.[Na+] | InChI=1S/C4H12N2O3S.Na/c5-1-2-6-3-4-10(7,8)9;/h6H,1-5H2,(H,7,8,9);/q;+1/p-1 | VRRABDXZDGRGPC-UHFFFAOYSA-M | C4H11N2NaO3S | 190.2 | 190.038808 | null | 104 | 165 | 0 | 2 | 5 | 5 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
.BETA.-ALANINE, CALCIUM SALT (2:1) | 036321-40-1 | 161,901 | calcium bis(3-aminopropanoate) | C(CN)C(=O)[O-].C(CN)C(=O)[O-].[Ca+2] | InChI=1S/2C3H7NO2.Ca/c2*4-2-1-3(5)6;/h2*1-2,4H2,(H,5,6);/q;;+2/p-2 | QRTVQUYKMVAQBJ-UHFFFAOYSA-L | C6H12CaN2O4 | 216.25 | 216.042298 | null | 132 | 47 | 0 | 2 | 6 | 2 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTANEDIOIC ACID, SULFO-, C-[2-[2-[(1-OXO-9-OCTADECENYL)AMINO]ETHOXY]ETHYL] ES | 056388-43-3 | 6,436,608 | disodium;4-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]ethoxy]-4-oxo-3-sulfonatobutanoate | CCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] | InChI=1S/C26H47NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-18-19-35-20-21-36-26(31)23(22-25(29)30)37(32,33)34;;/h9-10,23H,2-8,11-22H2,1H3,(H,27,28)(H,29,30)(H,32,33,34);;/q;2*+1/p-2/b10-9-;; | PCDVINMRZHPVSF-XXAVUKJNSA-L | C26H45NNa2O9S | 593.7 | 593.261042 | null | 170 | 729 | 0 | 1 | 9 | 24 | 39 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTANEDIOIC ACID, SULFO-, 4-[1-METHYL-2-[(1-OXO-9-OCTADECENYL)AMINO]ETHYL] EST | 067815-88-7 | 106,836 | disodium;4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxo-2-sulfonatobutanoate | CCCCCCCCC=CCCCCCCCC(=O)NCC(C)OC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] | InChI=1S/C25H45NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-24(28)19-22(25(29)30)35(31,32)33;;/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,29,30)(H,31,32,33);;/q;2*+1/p-2 | XMZNGOXSJASRSI-UHFFFAOYSA-L | C25H43NNa2O8S | 563.7 | 563.250477 | null | 161 | 711 | 0 | 1 | 8 | 21 | 37 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
OCTADECANOIC ACID, 9(OR 10)-SULFO-, POTASSIUM SALT | 067968-63-2 | 172,055 | dipotassium;9-sulfonatooctadecanoate | CCCCCCCCCC(CCCCCCCC(=O)[O-])S(=O)(=O)[O-].[K+].[K+] | InChI=1S/C18H36O5S.2K/c1-2-3-4-5-6-8-11-14-17(24(21,22)23)15-12-9-7-10-13-16-18(19)20;;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2 | BWZXEKWABSTKSN-UHFFFAOYSA-L | C18H34K2O5S | 440.7 | 440.140108 | null | 106 | 381 | 0 | 0 | 5 | 15 | 26 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETIC ACID, (2-BUTOXYETHOXY)-, SODIUM SALT | 067990-17-4 | 23,675,884 | sodium 2-(2-butoxyethoxy)acetate | CCCCOCCOCC(=O)[O-].[Na+] | InChI=1S/C8H16O4.Na/c1-2-3-4-11-5-6-12-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1 | JOWTZKYGHSPYKA-UHFFFAOYSA-M | C8H15NaO4 | 198.19 | 198.086803 | null | 58.6 | 119 | 0 | 0 | 4 | 8 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
OCTADECANOIC ACID, SULFO-, SODIUM SALT | 067998-94-1 | 23,675,887 | sodium 18-hydroxy-18-oxooctadecane-1-sulfonate | C(CCCCCCCCC(=O)O)CCCCCCCCS(=O)(=O)[O-].[Na+] | InChI=1S/C18H36O5S.Na/c19-18(20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-24(21,22)23;/h1-17H2,(H,19,20)(H,21,22,23);/q;+1/p-1 | PMCRAALPHHXOIX-UHFFFAOYSA-M | C18H35NaO5S | 386.5 | 386.21029 | null | 103 | 393 | 0 | 1 | 5 | 18 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
GLYCINE, N-METHYL-N-(1-OXODODECYL)-, AMMONIUM SALT | 068003-46-3 | 106,358 | azane;2-[dodecanoyl(methyl)amino]acetic acid | CCCCCCCCCCCC(=O)N(C)CC(=O)O.N | InChI=1S/C15H29NO3.H3N/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;/h3-13H2,1-2H3,(H,18,19);1H3 | OCSIXPGPUXCISD-UHFFFAOYSA-N | C15H32N2O3 | 288.43 | 288.241293 | null | 58.6 | 254 | 0 | 2 | 4 | 12 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PENTANOIC ACID, NONAFLUORO-, AMMONIUM SALT | 068259-11-0 | 73,556,410 | azanium 2,2,3,3,4,4,5,5,5-nonafluoropentanoate | C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[O-].[NH4+] | InChI=1S/C5HF9O2.H3N/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14;/h(H,15,16);1H3 | QGKJZVRFHDAXTC-UHFFFAOYSA-N | C5H4F9NO2 | 281.08 | 281.009832 | null | 41.1 | 285 | 0 | 1 | 11 | 2 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
OCTADECANOIC ACID, 9,10-DIHYDROXY-, MONOAMMONIUM SALT | 084753-04-8 | 174,384 | azanium 9,10-dihydroxyoctadecanoate | CCCCCCCCC(C(CCCCCCCC(=O)[O-])O)O.[NH4+] | InChI=1S/C18H36O4.H3N/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h16-17,19-20H,2-15H2,1H3,(H,21,22);1H3 | VYYNBCZACIOXPU-UHFFFAOYSA-N | C18H39NO4 | 333.5 | 333.287909 | null | 81.6 | 250 | 0 | 3 | 4 | 15 | 23 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-TETRADECANAMINIUM, N,N-DIMETHYL-N-TETRADECYL-, HEXA-.MU.-OXOTETRA-.MU.3-OXOD | 117342-25-3 | 73,557,177 | dimethyl-di(tetradecyl)azanium;molybdenum;nonacosahydrate | CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo] | InChI=1S/C30H64N.8Mo.29H2O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-30H2,1-4H3;;;;;;;;;29*1H2/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; | JPBRYOZODMONPW-UHFFFAOYSA-N | C30H122Mo8NO29+ | 1,728.9 | 1,730.056947 | null | 29 | 320 | 1 | 29 | 29 | 26 | 68 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ZINC DIALKYLDITHIOPHOSPHATE | 004259-15-8 | 61,339 | zinc bis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane) | CCCCC(CC)COP(=S)(OCC(CC)CCCC)[S-].CCCCC(CC)COP(=S)(OCC(CC)CCCC)[S-].[Zn+2] | InChI=1S/2C16H35O2PS2.Zn/c2*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;/h2*15-16H,5-14H2,1-4H3,(H,20,21);/q;;+2/p-2 | OECQDNKCDGGPFY-UHFFFAOYSA-L | C32H68O4P2S4Zn | 772.5 | 770.276711 | null | 103 | 255 | 0 | 0 | 8 | 28 | 43 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DEA-CETYL PHOSPHATE | 069331-39-1 | 6,365,571 | hexadecyl phosphate;2-(2-hydroxyethylamino)ethanol | CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].C(CO)NCCO | InChI=1S/C16H35O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;6-3-1-5-2-4-7/h2-16H2,1H3,(H2,17,18,19);5-7H,1-4H2/p-2 | GKKMCECQQIKAHA-UHFFFAOYSA-L | C20H44NO6P-2 | 425.5 | 425.290625 | null | 125 | 270 | -2 | 3 | 7 | 19 | 28 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-(METHYL(1-OXO-9-OCTADECENYL)AMINOMETHANESULFONIC ACID POTASSIUM SALT | 130976-49-7 | 87,445,014 | potassium 2-[methyl-[(Z)-octadec-9-enoyl]amino]ethanesulfonate | CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[K+] | InChI=1S/C21H41NO4S.K/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b11-10-; | XLXRNHIXPJCVKI-GMFCBQQYSA-M | C21H40KNO4S | 441.7 | 441.231511 | null | 85.9 | 489 | 0 | 0 | 4 | 18 | 28 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SILICIC ACID, LITHIUM SALT | 012627-14-4 | 9,920,381 | tetralithium;silicate | [Li+].[Li+].[Li+].[Li+].[O-][Si]([O-])([O-])[O-] | InChI=1S/4Li.O4Si/c;;;;1-5(2,3)4/q4*+1;-4 | YTZVWGRNMGHDJE-UHFFFAOYSA-N | Li4O4Si | 120 | 120.020599 | null | 92.2 | 19 | 0 | 0 | 4 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
Trisiloxane, 1,1-diphenyl-1,3,3,5,5-pentamethyl- | null | 23,657,856 | disilyloxysilane | O([SiH3])[SiH2]O[SiH3] | InChI=1S/H8O2Si3/c3-1-5-2-4/h5H2,3-4H3 | ZQTYRTSKQFQYPQ-UHFFFAOYSA-N | H8O2Si3 | 124.32 | 123.983209 | null | 18.5 | 12 | 0 | 0 | 2 | 2 | 5 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PERBORIC ACID, SODIUM SALT, TETRAHYDRATE | 010486-00-7 | 23,676,691 | sodium;oxidooxy(oxo)borane;tetrahydrate | B(=O)O[O-].O.O.O.O.[Na+] | InChI=1S/BHO3.Na.4H2O/c2-1-4-3;;;;;/h3H;;4*1H2/q;+1;;;;/p-1 | BXULPSCUJWIATB-UHFFFAOYSA-M | BH8NaO7 | 153.86 | 154.026077 | null | 53.4 | 20 | 0 | 4 | 7 | 0 | 9 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 |
ETHANOL, 2-[2-[2-(DODECYLOXY)ETHOXY]ETHOXY]- | 003055-94-5 | 76,458 | 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol | CCCCCCCCCCCCOCCOCCOCCO | InChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19/h19H,2-18H2,1H3 | FKMHSNTVILORFA-UHFFFAOYSA-N | C18H38O4 | 318.5 | 318.27701 | 4.8 | 47.9 | 188 | 0 | 1 | 4 | 19 | 22 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3,3'-THIODIPROPIONIC ACID | 000111-17-1 | 8,096 | 3-(2-carboxyethylsulfanyl)propanoic acid | C(CSCCC(=O)O)C(=O)O | InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10) | ODJQKYXPKWQWNK-UHFFFAOYSA-N | C6H10O4S | 178.21 | 178.02998 | -0.1 | 99.9 | 130 | 0 | 2 | 5 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Ammonium dihexadecyldimethyl-, chloride | 001812-53-9 | 15,743 | dihexadecyl(dimethyl)azanium chloride | CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Cl-] | InChI=1S/C34H72N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1 | ZCPCLAPUXMZUCD-UHFFFAOYSA-M | C34H72ClN | 530.4 | 529.535329 | null | 0 | 341 | 0 | 0 | 1 | 30 | 36 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SILICIC ACID (H2SI2O5), DISODIUM SALT | 013870-28-5 | 61,699 | disodium;oxido-[oxido(oxo)silyl]oxy-oxosilane | [O-][Si](=O)O[Si](=O)[O-].[Na+].[Na+] | InChI=1S/2Na.O5Si2/c;;1-6(2)5-7(3)4/q2*+1;-2 | OQEVSCYDUYRAAM-UHFFFAOYSA-N | Na2O5Si2 | 182.15 | 181.907965 | null | 89.5 | 71 | 0 | 0 | 5 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
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