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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HEXANOIC ACID, 2-ETHYL-, TITANIUM(4+) SALT | 003645-34-9 | 6,451,578 | tetrakis(2-ethylhexanoate);titanium(4+) | CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ti+4] | InChI=1S/4C8H16O2.Ti/c4*1-3-5-6-7(4-2)8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4 | GDKAXSGMPFSRJY-UHFFFAOYSA-J | C32H60O8Ti | 620.7 | 620.37676 | null | 161 | 93 | 0 | 0 | 8 | 16 | 41 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1,2,2,3,3,4,4,4-NONAFLUORO-N-(2-HYDROXYETHYL)-N-METHYL-1-BUTANESULFONAMIDE | 034454-97-2 | 118,688 | 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide | CN(CCO)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h18H,2-3H2,1H3 | DSRUAYIFDCHEEV-UHFFFAOYSA-N | C7H8F9NO3S | 357.2 | 357.008118 | 2.1 | 66 | 467 | 0 | 1 | 13 | 6 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 |
POTASSIUM TETRABORATE TETRAHYDRATE | 012045-78-2 | 71,310,090 | dipotassium;[oxido(oxoboranyloxy)boranyl]oxy-oxoboranyloxyborinate;tetrahydrate | B(=O)OB([O-])OB([O-])OB=O.O.O.O.O.[K+].[K+] | InChI=1S/B4O7.2K.4H2O/c5-1-9-3(7)11-4(8)10-2-6;;;;;;/h;;;4*1H2/q-2;2*+1;;;; | HPERZVLSBPUYIW-UHFFFAOYSA-N | B4H8K2O11 | 305.5 | 305.971295 | null | 112 | 110 | 0 | 4 | 11 | 4 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
DIOCTYLTIN OXIDE | 000870-08-6 | 93,563 | dioctyl(oxo)tin | CCCCCCCC[Sn](=O)CCCCCCCC | InChI=1S/2C8H17.O.Sn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;; | LQRUPWUPINJLMU-UHFFFAOYSA-N | C16H34OSn | 361.2 | 362.163168 | null | 17.1 | 162 | 0 | 0 | 1 | 14 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 |
STANNANE, DIOCTYLBIS[(1-OXONEODECYL)OXY]- | 068299-15-0 | 16,684,129 | [dioctyl(2,2,5,5-tetramethylhexanoyloxy)stannyl] 2,2,5,5-tetramethylhexanoate | CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C(C)(C)CCC(C)(C)C)OC(=O)C(C)(C)CCC(C)(C)C | InChI=1S/2C10H20O2.2C8H17.Sn/c2*1-9(2,3)6-7-10(4,5)8(11)12;2*1-3-5-7-8-6-4-2;/h2*6-7H2,1-5H3,(H,11,12);2*1,3-8H2,2H3;/q;;;;+2/p-2 | NNVDGGDSRRQJMV-UHFFFAOYSA-L | C36H72O4Sn | 687.7 | 688.445263 | null | 52.6 | 665 | 0 | 0 | 4 | 26 | 41 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 |
2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE (ESTER) | 006846-50-0 | 23,284 | [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate | CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C | InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3 | OMVSWZDEEGIJJI-UHFFFAOYSA-N | C16H30O4 | 286.41 | 286.214409 | 4.7 | 52.6 | 329 | 0 | 0 | 4 | 9 | 20 | 250 °F (121 °C) (Open cup) | 380 °C | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
DIMETHICONOL | 031692-79-2 | 14,014 | dihydroxy(dimethyl)silane | C[Si](C)(O)O | InChI=1S/C2H8O2Si/c1-5(2,3)4/h3-4H,1-2H3 | XCLIHDJZGPCUBT-UHFFFAOYSA-N | C2H8O2Si | 92.17 | 92.029356 | null | 40.5 | 30 | 0 | 2 | 2 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYLTIN TRICHLORIDE | 000993-16-8 | 101,940 | trichloro(methyl)stannane | C[Sn](Cl)(Cl)Cl | InChI=1S/CH3.3ClH.Sn/h1H3;3*1H;/q;;;;+3/p-3 | YFRLQYJXUZRYDN-UHFFFAOYSA-K | CH3Cl3Sn | 240.1 | 239.832236 | null | 0 | 28 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
BORIC ACID, ALUMINUM SALT | 011121-16-7 | 16,204,948 | aluminum borate | B([O-])([O-])[O-].[Al+3] | InChI=1S/Al.BO3/c;2-1(3)4/q+3;-3 | OJMOMXZKOWKUTA-UHFFFAOYSA-N | AlBO3 | 85.79 | 85.975587 | null | 69.2 | 8 | 0 | 0 | 3 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
HEXAMETHONIUM BROMIDE | 000055-97-0 | 5,938 | trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide | C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-] | InChI=1S/C12H30N2.2BrH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2 | FAPSXSAPXXJTOU-UHFFFAOYSA-L | C12H30Br2N2 | 362.19 | 362.07552 | null | 0 | 121 | 0 | 0 | 2 | 7 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
BIS(TRIMETHOXYSILYL)HEXANE | 087135-01-1 | 159,046 | trimethoxy(6-trimethoxysilylhexyl)silane | CO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC | InChI=1S/C12H30O6Si2/c1-13-19(14-2,15-3)11-9-7-8-10-12-20(16-4,17-5)18-6/h7-12H2,1-6H3 | GFKCWAROGHMSTC-UHFFFAOYSA-N | C12H30O6Si2 | 326.53 | 326.158092 | null | 55.4 | 193 | 0 | 0 | 6 | 13 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
MANGANESE CARBONATE | 000598-62-9 | 11,726 | manganese(2+) carbonate | C(=O)([O-])[O-].[Mn+2] | InChI=1S/CH2O3.Mn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2 | XMWCXZJXESXBBY-UHFFFAOYSA-L | CMnO3 | 114.947 | 114.922787 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
PROPANOIC ACID, 2,2,3,3-TETRAFLUORO-, SODIUM SALT | 022898-01-7 | 23,672,333 | sodium 2,2,3,3-tetrafluoropropanoate | C(C(C(=O)[O-])(F)F)(F)F.[Na+] | InChI=1S/C3H2F4O2.Na/c4-1(5)3(6,7)2(8)9;/h1H,(H,8,9);/q;+1/p-1 | SGUSXTMVKMPQKI-UHFFFAOYSA-M | C3HF4NaO2 | 168.02 | 167.981036 | null | 40.1 | 126 | 0 | 0 | 6 | 2 | 10 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
FELDSPAR (POTASSIUM FELDSPAR) | 012168-80-8 | 3,080,680 | aluminum;potassium;octakis(oxygen(2-));tris(silicon(4+)) | [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Si+4].[Si+4].[Si+4].[K+] | InChI=1S/Al.K.8O.3Si/q+3;+1;8*-2;3*+4 | DLHONNLASJQAHX-UHFFFAOYSA-N | AlKO8Si3 | 278.33 | 277.835342 | null | 8 | 0 | 0 | 0 | 8 | 0 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
MANGANESE(II) SULFATE TETRAHYDRATE | 010101-68-5 | 22,572,548 | manganese(2+);sulfate;tetrahydrate | O.O.O.O.[O-]S(=O)(=O)[O-].[Mn+2] | InChI=1S/Mn.H2O4S.4H2O/c;1-5(2,3)4;;;;/h;(H2,1,2,3,4);4*1H2/q+2;;;;;/p-2 | CDUFCUKTJFSWPL-UHFFFAOYSA-L | H8MnO8S | 223.06 | 222.932031 | null | 92.6 | 62 | 0 | 4 | 8 | 0 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
MANGANESE SULFATE, MONOHYDRATE | 010034-96-5 | 177,577 | manganese(2+);sulfate;hydrate | O.[O-]S(=O)(=O)[O-].[Mn+2] | InChI=1S/Mn.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2 | ISPYRSDWRDQNSW-UHFFFAOYSA-L | H2MnO5S | 169.02 | 168.900337 | null | 89.6 | 62 | 0 | 1 | 5 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
LITHIUM MANGANESE IRON PHOSPHATE (LIMN0.6FE0.4PO4) LMFP CATHODE POWDER | 013826-59-0 | 22,178,930 | lithium;manganese(2+);phosphate | [Li+].[O-]P(=O)([O-])[O-].[Mn+2] | InChI=1S/Li.Mn.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q+1;+2;/p-3 | ILXAVRFGLBYNEJ-UHFFFAOYSA-K | LiMnO4P | 156.9 | 156.907467 | null | 86.3 | 36 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
SAMARIUM OXIDE | 012060-58-1 | 159,425 | tris(oxygen(2-));bis(samarium(3+)) | [O-2].[O-2].[O-2].[Sm+3].[Sm+3] | InChI=1S/3O.2Sm/q3*-2;2*+3 | FKTOIHSPIPYAPE-UHFFFAOYSA-N | O3Sm2 | 348.7 | 353.8267 | null | 3 | 0 | 0 | 0 | 3 | 0 | 5 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ZINC CARBONATE | 003486-35-9 | 19,005 | zinc carbonate | C(=O)([O-])[O-].[Zn+2] | InChI=1S/CH2O3.Zn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2 | FMRLDPWIRHBCCC-UHFFFAOYSA-L | CO3Zn | 125.4 | 123.913886 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 5 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
INDIUM ARSENIDE | 001303-11-3 | 91,500 | indiganylidynearsane | [As]#[In] | InChI=1S/As.In | RPQDHPTXJYYUPQ-UHFFFAOYSA-N | AsIn | 189.74 | 189.825473 | null | 0 | 10 | 0 | 0 | 0 | 0 | 2 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-BROMONONANE | 000693-58-3 | 12,742 | 1-bromononane | CCCCCCCCCBr | InChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3 | AYMUQTNXKPEMLM-UHFFFAOYSA-N | C9H19Br | 207.15 | 206.06701 | 5.4 | 0 | 52 | 0 | 0 | 0 | 7 | 10 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ISOOCTYL PALMITATE | 001341-38-4 | 14,934 | 6-methylheptyl hexadecanoate | CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C | InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(25)26-22-19-16-17-20-23(2)3/h23H,4-22H2,1-3H3 | CJSPFDQEYQBDNN-UHFFFAOYSA-N | C24H48O2 | 368.6 | 368.365431 | 10.6 | 26.3 | 286 | 0 | 0 | 2 | 21 | 26 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPYLENEGLYCOL MONOLAURATE | 000142-55-2 | 14,870 | 2-hydroxypropyl dodecanoate | CCCCCCCCCCCC(=O)OCC(C)O | InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3 | BHIZVZJETFVJMJ-UHFFFAOYSA-N | C15H30O3 | 258.4 | 258.219495 | 5 | 46.5 | 192 | 0 | 1 | 3 | 13 | 18 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTYL-1-OCTANOL | 003913-02-8 | 19,800 | 2-butyloctan-1-ol | CCCCCCC(CCCC)CO | InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3 | XMVBHZBLHNOQON-UHFFFAOYSA-N | C12H26O | 186.33 | 186.198365 | 4.8 | 20.2 | 91 | 0 | 1 | 1 | 9 | 13 | null | 145.00 to 149.00 °C. @ 760.00 mm Hg | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CARBAMODITHIOIC ACID, DIMETHYL, POTASSIUM SALT | 000128-03-0 | 23,662,387 | potassium N,N-dimethylcarbamodithioate | CN(C)C(=S)[S-].[K+] | InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1 | TVPFLPJBESCUKI-UHFFFAOYSA-M | C3H6KNS2 | 159.32 | 158.957873 | null | 36.3 | 64 | 0 | 0 | 2 | 0 | 7 | null | >212 °F | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-PENTADECANONE, 6,10,14-TRIMETHYL- | 000502-69-2 | 10,408 | 6,10,14-trimethylpentadecan-2-one | CC(C)CCCC(C)CCCC(C)CCCC(=O)C | InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3 | WHWDWIHXSPCOKZ-UHFFFAOYSA-N | C18H36O | 268.5 | 268.276616 | 6.9 | 17.1 | 220 | 0 | 0 | 1 | 12 | 19 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,2-PROPANEDIOL, 3-(OCTADECYLOXY)- | 000544-62-7 | 3,681 | 3-octadecoxypropane-1,2-diol | CCCCCCCCCCCCCCCCCCOCC(CO)O | InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3 | OGBUMNBNEWYMNJ-UHFFFAOYSA-N | C21H44O3 | 344.6 | 344.329045 | 7.6 | 49.7 | 221 | 0 | 2 | 3 | 20 | 24 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CERIUM OXIDE (CE2O3) | 001345-13-7 | 11,099,499 | oxo(oxoceriooxy)cerium | O=[Ce]O[Ce]=O | InChI=1S/2Ce.3O | BMMGVYCKOGBVEV-UHFFFAOYSA-N | Ce2O3 | 328.23 | 327.79564 | null | 43.4 | 34 | 0 | 0 | 3 | 0 | 5 | null | 3730 °C | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
OCTANE, 1-(ETHYLTHIO)- | 003698-94-0 | 77,288 | 1-ethylsulfanyloctane | CCCCCCCCSCC | InChI=1S/C10H22S/c1-3-5-6-7-8-9-10-11-4-2/h3-10H2,1-2H3 | WAITXWGCJQLPGH-UHFFFAOYSA-N | C10H22S | 174.35 | 174.144222 | 4.7 | 25.3 | 61 | 0 | 0 | 1 | 8 | 11 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Urea, tetrabutyl- | 004559-86-8 | 20,691 | 1,1,3,3-tetrabutylurea | CCCCN(CCCC)C(=O)N(CCCC)CCCC | InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3 | SNDGLCYYBKJSOT-UHFFFAOYSA-N | C17H36N2O | 284.5 | 284.282764 | 4.7 | 23.6 | 193 | 0 | 0 | 1 | 12 | 20 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DIPHOSPHORIC ACID, ZINC SALT (1:2) | 007446-26-6 | 62,641 | dizinc;phosphonato phosphate | [O-]P(=O)([O-])OP(=O)([O-])[O-].[Zn+2].[Zn+2] | InChI=1S/H4O7P2.2Zn/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);;/q;2*+2/p-4 | OMSYGYSPFZQFFP-UHFFFAOYSA-J | O7P2Zn2 | 304.7 | 303.7671 | null | 136 | 124 | 0 | 0 | 7 | 0 | 11 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPANOIC ACID, 2-METHYL-, 2,4-HEXADIENYL ESTER | 016491-24-0 | 86,015 | hexa-2,4-dienyl 2-methylpropanoate | CC=CC=CCOC(=O)C(C)C | InChI=1S/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7,9H,8H2,1-3H3 | CVYBRMSQMLJGOI-UHFFFAOYSA-N | C10H16O2 | 168.23 | 168.11503 | 2.7 | 26.3 | 178 | 0 | 0 | 2 | 5 | 12 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-TETRADECYL-.OMEGA.-HYDROXY- | 027306-79-2 | 16,491 | 2-tetradecoxyethanol | CCCCCCCCCCCCCCOCCO | InChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17/h17H,2-16H2,1H3 | QHERURXKGFABNZ-UHFFFAOYSA-N | C16H34O2 | 258.44 | 258.25588 | 6.2 | 29.5 | 137 | 0 | 1 | 2 | 15 | 18 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
7-NONEN-2-OL, 4,8-DIMETHYL- | 040596-76-7 | 162,418 | 4,8-dimethylnon-7-en-2-ol | CC(CCC=C(C)C)CC(C)O | InChI=1S/C11H22O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,10-12H,5,7-8H2,1-4H3 | CUIWFRIESJGBPX-UHFFFAOYSA-N | C11H22O | 170.29 | 170.167065 | 3.6 | 20.2 | 134 | 0 | 1 | 1 | 5 | 12 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Propanoic acid, 3-(dodecylthio)-, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) est | 064253-30-1 | 93,351 | 2-[2-[2-[2-(3-dodecylsulfanylpropanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-dodecylsulfanylpropanoate | CCCCCCCCCCCCSCCC(=O)OCCOCCOCCOCCOC(=O)CCSCCCCCCCCCCCC | InChI=1S/C38H74O7S2/c1-3-5-7-9-11-13-15-17-19-21-33-46-35-23-37(39)44-31-29-42-27-25-41-26-28-43-30-32-45-38(40)24-36-47-34-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3 | NMWLFOFCBZILSO-UHFFFAOYSA-N | C38H74O7S2 | 707.1 | 706.487597 | 11.9 | 131 | 587 | 0 | 0 | 9 | 42 | 47 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3,12-TRIDECADIENENITRILE | 134769-33-8 | 3,086,639 | trideca-3,12-dienenitrile | C=CCCCCCCCC=CCC#N | InChI=1S/C13H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,10-11H,1,3-9,12H2 | DBWSGRFEGVADLQ-UHFFFAOYSA-N | C13H21N | 191.31 | 191.1674 | 4.7 | 23.8 | 195 | 0 | 0 | 1 | 9 | 14 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2,12-TRIDECADIENENITRILE | 134849-13-1 | 6,450,539 | (2E)-trideca-2,12-dienenitrile | C=CCCCCCCCC/C=C/C#N | InChI=1S/C13H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,11-12H,1,3-10H2/b12-11+ | HATXGQLRJIOVRF-VAWYXSNFSA-N | C13H21N | 191.31 | 191.1674 | 5.1 | 23.8 | 195 | 0 | 0 | 1 | 9 | 14 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ZINC DITHIOPHOSPHATE (ZINC ISODECYL PHOSPHORODITHIOATE) | 025103-54-2 | 32,791 | zinc bis(bis(8-methylnonoxy)-sulfanylidene-sulfido-lambda5-phosphane) | CC(C)CCCCCCCOP(=S)(OCCCCCCCC(C)C)[S-].CC(C)CCCCCCCOP(=S)(OCCCCCCCC(C)C)[S-].[Zn+2] | InChI=1S/2C20H43O2PS2.Zn/c2*1-19(2)15-11-7-5-9-13-17-21-23(24,25)22-18-14-10-6-8-12-16-20(3)4;/h2*19-20H,5-18H2,1-4H3,(H,24,25);/q;;+2/p-2 | JTRDOXTXNZMWMG-UHFFFAOYSA-L | C40H84O4P2S4Zn | 884.7 | 882.401912 | null | 103 | 299 | 0 | 0 | 8 | 36 | 51 | 280 °F, open cup, 120 min. | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ZINC DIBUTYL DITHIOCARBAMATE DIBUTYLAMINE COMPLEX | 035884-05-0 | 169,723 | zinc;N-butylbutan-1-amine;bis(N,N-dibutylcarbamodithioate) | CCCCNCCCC.CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2] | InChI=1S/2C9H19NS2.C8H19N.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;1-3-5-7-9-8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);9H,3-8H2,1-2H3;/q;;;+2/p-2 | HCXJRWZYDUTGOV-UHFFFAOYSA-L | C26H55N3S4Zn | 603.4 | 601.257025 | null | 84.7 | 150 | 0 | 1 | 5 | 18 | 34 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
(2E,4E,7S)-3,7,11-TRIMETHYL-2,4-DODECADIENOIC ACID 2-PROPYNYL ESTER | 065733-20-2 | 18,772,461 | prop-2-ynyl (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-dienoate | C[C@@H](CCCC(C)C)C/C=C/C(=C/C(=O)OCC#C)/C | InChI=1S/C18H28O2/c1-6-13-20-18(19)14-17(5)12-8-11-16(4)10-7-9-15(2)3/h1,8,12,14-16H,7,9-11,13H2,2-5H3/b12-8+,17-14+/t16-/m0/s1 | FZRBKIRIBLNOAM-PBGROSLGSA-N | C18H28O2 | 276.4 | 276.20893 | 6 | 26.3 | 379 | 0 | 0 | 2 | 10 | 20 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
COPPER METAL | 007440-50-8 | 23,978 | copper | [Cu] | InChI=1S/Cu | RYGMFSIKBFXOCR-UHFFFAOYSA-N | Cu | 63.55 | 62.929597 | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | null | 4703 °F at 760 mmHg (NIOSH, 2024) | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
(S)-METHOPRENE | 065733-16-6 | 1,711,973 | propan-2-yl (2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate | C[C@@H](CCCC(C)(C)OC)C/C=C/C(=C/C(=O)OC(C)C)/C | InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+/t16-/m1/s1 | NFGXHKASABOEEW-GYMWBFJFSA-N | C19H34O3 | 310.5 | 310.250795 | 5.5 | 35.5 | 378 | 0 | 0 | 3 | 11 | 22 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
COPPER(II) OXIDE | 001317-38-0 | 164,827 | copper oxygen(2-) | [O-2].[Cu+2] | InChI=1S/Cu.O/q+2;-2 | KKCXRELNMOYFLS-UHFFFAOYSA-N | CuO | 79.55 | 78.924512 | null | 1 | 0 | 0 | 0 | 1 | 0 | 2 | null | Decomposes at 1026 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SILVER IODIDE | 007783-96-2 | 24,563 | iodosilver | [Ag]I | InChI=1S/Ag.HI/h;1H/q+1;/p-1 | MSFPLIAKTHOCQP-UHFFFAOYSA-M | AgI | 234.773 | 233.80956 | null | 0 | 2 | 0 | 0 | 0 | 0 | 2 | null | 1506 °C | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ZINC OXIDE | 001314-13-2 | 3,007,857 | zinc oxygen(2-) | [O-2].[Zn+2] | InChI=1S/O.Zn/q-2;+2 | RNWHGQJWIACOKP-UHFFFAOYSA-N | OZn | 81.4 | 79.924056 | null | 1 | 0 | 0 | 0 | 1 | 0 | 2 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
NEODECANOIC ACID, ETHENYL ESTER | 051000-52-3 | 65,294 | ethenyl 2,2-dimethyloctanoate | CCCCCCC(C)(C)C(=O)OC=C | InChI=1S/C12H22O2/c1-5-7-8-9-10-12(3,4)11(13)14-6-2/h6H,2,5,7-10H2,1,3-4H3 | ZHXNRJQVYHYIMK-UHFFFAOYSA-N | C12H22O2 | 198.3 | 198.16198 | 4.5 | 26.3 | 183 | 0 | 0 | 2 | 8 | 14 | greater than 175 °F (USCG, 1999) | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-PROPANAMINIUM, 3-(D-GLUCONOYLAMINO)-N-(2-HYDROXYETHYL)-N,N-DIMETHYL-, CHLORI | 051812-80-7 | 40,138 | 2-hydroxyethyl-dimethyl-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]azanium chloride | C[N+](C)(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCO.[Cl-] | InChI=1S/C13H28N2O7.ClH/c1-15(2,6-7-16)5-3-4-14-13(22)12(21)11(20)10(19)9(18)8-17;/h9-12,16-21H,3-8H2,1-2H3;1H/t9-,10-,11+,12-;/m1./s1 | FVEWVVDBRQZLSJ-QTWKXRMISA-N | C13H29ClN2O7 | 360.83 | 360.166329 | null | 150 | 328 | 0 | 7 | 8 | 11 | 23 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTENEDIOIC ACID (Z)-, DIOCTYL ESTER | 002915-53-9 | 6,433,353 | dioctyl (Z)-but-2-enedioate | CCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCC | InChI=1S/C20H36O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h15-16H,3-14,17-18H2,1-2H3/b16-15- | TVWTZAGVNBPXHU-NXVVXOECSA-N | C20H36O4 | 340.5 | 340.26136 | 7 | 52.6 | 305 | 0 | 0 | 4 | 18 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
MOLYBDENUM ZINC OXIDE (MO2ZN3O9) | 022914-58-5 | 161,404 | trizinc;molybdenum;nonakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Zn+2].[Zn+2].[Zn+2].[Mo].[Mo] | InChI=1S/2Mo.9O.3Zn/q;;9*-2;3*+2 | SDGPQJIWTGCSRL-UHFFFAOYSA-N | Mo2O9Zn3-12 | 532 | 531.54863 | null | 9 | 0 | -12 | 0 | 9 | 0 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-DECANONE | 000693-54-9 | 12,741 | decan-2-one | CCCCCCCCC(=O)C | InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3 | ZAJNGDIORYACQU-UHFFFAOYSA-N | C10H20O | 156.26 | 156.151415 | 3.7 | 17.1 | 97 | 0 | 0 | 1 | 7 | 11 | [ChemIDplus] 71 °C | 210.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRIPALMITIN | 000555-44-2 | 11,147 | 2,3-di(hexadecanoyloxy)propyl hexadecanoate | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC | InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3 | PVNIQBQSYATKKL-UHFFFAOYSA-N | C51H98O6 | 807.3 | 806.736341 | 21.9 | 78.9 | 798 | 0 | 0 | 6 | 50 | 57 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,3-DIPALMITIN | 000502-52-3 | 68,149 | (3-hexadecanoyloxy-2-hydroxypropyl) hexadecanoate | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O | InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3 | GFAZGHREJPXDMH-UHFFFAOYSA-N | C35H68O5 | 568.9 | 568.506675 | 14 | 72.8 | 490 | 0 | 1 | 5 | 34 | 40 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DIETHYL SEBACATE | 000110-40-7 | 8,049 | diethyl decanedioate | CCOC(=O)CCCCCCCCC(=O)OCC | InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3 | ONKUXPIBXRRIDU-UHFFFAOYSA-N | C14H26O4 | 258.35 | 258.183109 | 3.5 | 52.6 | 202 | 0 | 0 | 4 | 13 | 18 | null | 302.00 to 305.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRIMETHYLOLPROPANE TRIMETHACRYLATE | 003290-92-4 | 18,689 | 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate | CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C | InChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3 | OKKRPWIIYQTPQF-UHFFFAOYSA-N | C18H26O6 | 338.4 | 338.172939 | 3.8 | 78.9 | 470 | 0 | 0 | 6 | 13 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ZINC ALUMINATE | 037275-76-6 | 166,598 | dialuminum;dizinc;pentakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Zn+2].[Zn+2] | InChI=1S/2Al.5O.2Zn/q2*+3;5*-2;2*+2 | JAONJTDQXUSBGG-UHFFFAOYSA-N | Al2O5Zn2 | 264.7 | 263.79283 | null | 5 | 0 | 0 | 0 | 5 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-DODECANONE | 006175-49-1 | 22,556 | dodecan-2-one | CCCCCCCCCCC(=O)C | InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3 | LSKONYYRONEBKA-UHFFFAOYSA-N | C12H24O | 184.32 | 184.182715 | 4.6 | 17.1 | 118 | 0 | 0 | 1 | 9 | 13 | null | 245.00 to 246.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPANOIC ACID, 2-METHYL-, 1-ETHENYL-1,5-DIMETHYL-4-HEXENYL ESTER | 000078-35-3 | 6,532 | 3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate | CC(C)C(=O)OC(C)(CCC=C(C)C)C=C | InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3 | JZIARAQCPRDGAC-UHFFFAOYSA-N | C14H24O2 | 224.34 | 224.17763 | 4.3 | 26.3 | 272 | 0 | 0 | 2 | 7 | 16 | null | 228.00 to 230.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTANOIC ACID, 1-ETHENYL-1,5-DIMETHYL-4-HEXENYL ESTER | 000078-36-4 | 62,321 | 3,7-dimethylocta-1,6-dien-3-yl butanoate | CCCC(=O)OC(C)(CCC=C(C)C)C=C | InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3 | FHLGUOHLUFIAAA-UHFFFAOYSA-N | C14H24O2 | 224.34 | 224.17763 | 4.1 | 26.3 | 262 | 0 | 0 | 2 | 8 | 16 | null | 220.00 to 222.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
4-NONANOL, 2,6,8-TRIMETHYL- | 000123-17-1 | 61,056 | 2,6,8-trimethylnonan-4-ol | CC(C)CC(C)CC(CC(C)C)O | InChI=1S/C12H26O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-13H,6-8H2,1-5H3 | LFEHSRSSAGQWNI-UHFFFAOYSA-N | C12H26O | 186.33 | 186.198365 | 4.3 | 20.2 | 118 | 0 | 1 | 1 | 6 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETIC ACID, NONYL ESTER | 000143-13-5 | 8,918 | nonyl acetate | CCCCCCCCCOC(=O)C | InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3 | GJQIMXVRFNLMTB-UHFFFAOYSA-N | C11H22O2 | 186.29 | 186.16198 | 4 | 26.3 | 121 | 0 | 0 | 2 | 9 | 13 | null | 406.4 to 413.6 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, PROPANOATE | 000144-39-8 | 61,098 | 3,7-dimethylocta-1,6-dien-3-yl propanoate | CCC(=O)OC(C)(CCC=C(C)C)C=C | InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3 | WAQIIHCCEMGYKP-UHFFFAOYSA-N | C13H22O2 | 210.31 | 210.16198 | 3.8 | 26.3 | 249 | 0 | 0 | 2 | 7 | 15 | null | 115.00 °C. @ 10.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTENEDIOIC ACID (Z)-, DIPROPYL ESTER | 002432-63-5 | 5,271,567 | dipropyl (Z)-but-2-enedioate | CCCOC(=O)/C=C\C(=O)OCCC | InChI=1S/C10H16O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5- | DSTWFRCNXMNXTR-WAYWQWQTSA-N | C10H16O4 | 200.23 | 200.104859 | 2 | 52.6 | 186 | 0 | 0 | 4 | 8 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTANOIC ACID, 2-METHYL-, 3-HEXENYL ESTER | 010094-41-4 | 5,365,069 | [(Z)-hex-3-enyl] 2-methylbutanoate | CC/C=C\CCOC(=O)C(C)CC | InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6- | JKKGTSUICJWEKB-SREVYHEPSA-N | C11H20O2 | 184.27 | 184.14633 | 3.3 | 26.3 | 161 | 0 | 0 | 2 | 7 | 13 | null | 95.00 °C. @ 30.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
4-UNDECANONE, 2-METHYL- | 019594-40-2 | 246,924 | 2-methylundecan-4-one | CCCCCCCC(=O)CC(C)C | InChI=1S/C12H24O/c1-4-5-6-7-8-9-12(13)10-11(2)3/h11H,4-10H2,1-3H3 | IEBAJFDSHJYDCK-UHFFFAOYSA-N | C12H24O | 184.32 | 184.182715 | 4.4 | 17.1 | 127 | 0 | 0 | 1 | 8 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
7-OCTEN-2-OL, 2,6-DIMETHYL-, ACETATE | 053767-93-4 | 103,826 | 2,6-dimethyloct-7-en-2-yl acetate | CC(CCCC(C)(C)OC(=O)C)C=C | InChI=1S/C12H22O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6,10H,1,7-9H2,2-5H3 | BEARMGATPGLSKG-UHFFFAOYSA-N | C12H22O2 | 198.3 | 198.16198 | 3.4 | 26.3 | 194 | 0 | 0 | 2 | 7 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-HEXENOIC ACID, 3-HEXENYL ESTER, (Z,Z)- | 061444-38-0 | 6,435,882 | [(Z)-hex-3-enyl] (Z)-hex-3-enoate | CC/C=C\CCOC(=O)C/C=C\CC | InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6- | UZJQQWFHPLYECS-SFECMWDFSA-N | C12H20O2 | 196.29 | 196.14633 | 3.3 | 26.3 | 192 | 0 | 0 | 2 | 8 | 14 | null | 60.00 °C. @ 0.50 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2,6-NONADIENENITRILE, 3,7-DIMETHYL- | 061792-11-8 | 112,446 | 3,7-dimethylnona-2,6-dienenitrile | CCC(=CCCC(=CC#N)C)C | InChI=1S/C11H17N/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8H,4-5,7H2,1-3H3 | DHJVLXVXNFUSMU-UHFFFAOYSA-N | C11H17N | 163.26 | 163.1361 | 3.7 | 23.8 | 225 | 0 | 0 | 1 | 4 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,6-NONADIEN-3-OL, 3,7-DIMETHYL-, ACETATE | 061931-80-4 | 43,851 | 3,7-dimethylnona-1,6-dien-3-yl acetate | CCC(=CCCC(C)(C=C)OC(=O)C)C | InChI=1S/C13H22O2/c1-6-11(3)9-8-10-13(5,7-2)15-12(4)14/h7,9H,2,6,8,10H2,1,3-5H3 | IVSZEHYDOLAREK-UHFFFAOYSA-N | C13H22O2 | 210.31 | 210.16198 | 3.7 | 26.3 | 253 | 0 | 0 | 2 | 7 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
AMMONIUM FERRIC PROPYLENEDIAMINETETRAACETIC ACID | 111687-36-6 | 159,534 | azanium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+) | C(CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-].[NH4+].[Fe+3] | InChI=1S/C11H18N2O8.Fe.H3N/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21;;/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;1H3/q;+3;/p-3 | HXPRIPOCSQBZIN-UHFFFAOYSA-K | C11H18FeN3O8 | 376.12 | 376.044325 | null | 168 | 308 | 0 | 1 | 10 | 8 | 23 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
GLYPHOSATE, AMMONIUM SALT | 114370-14-8 | 11,615,303 | azane;2-(phosphonomethylamino)acetic acid | C(C(=O)O)NCP(=O)(O)O.N | InChI=1S/C3H8NO5P.H3N/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H3 | PDYXIVPKOMYDOK-UHFFFAOYSA-N | C3H11N2O5P | 186.1 | 186.040559 | null | 108 | 162 | 0 | 5 | 7 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N-(PHOSPHONOMETHYL)GLYCINE COMPD. WITH N-METHYLMETHANAMINE | 034494-04-7 | 13,208,144 | N-methylmethanamine;2-(phosphonomethylamino)acetic acid | CNC.C(C(=O)O)NCP(=O)(O)O | InChI=1S/C3H8NO5P.C2H7N/c5-3(6)1-4-2-10(7,8)9;1-3-2/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,1-2H3 | VDCHTAFVUAPYGO-UHFFFAOYSA-N | C5H15N2O5P | 214.16 | 214.071859 | null | 119 | 165 | 0 | 5 | 7 | 4 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-PENTANOL, 2-METHYL-, ACETATE | 007789-99-3 | 24,625 | 2-methylpentyl acetate | CCCC(C)COC(=O)C | InChI=1S/C8H16O2/c1-4-5-7(2)6-10-8(3)9/h7H,4-6H2,1-3H3 | UZTVUHTZGGZFCI-UHFFFAOYSA-N | C8H16O2 | 144.21 | 144.11503 | 2.7 | 26.3 | 99 | 0 | 0 | 2 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYL CAPRATE | 000110-42-9 | 8,050 | methyl decanoate | CCCCCCCCCC(=O)OC | InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3 | YRHYCMZPEVDGFQ-UHFFFAOYSA-N | C11H22O2 | 186.29 | 186.16198 | 4.7 | 26.3 | 121 | 0 | 0 | 2 | 9 | 13 | null | 224 °C @ 760 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N-(PHOSPHONOMETHYL)GLYCINE POTASSIUM SALT | 070901-12-1 | 23,716,553 | potassium (carboxymethylamino)methyl-hydroxyphosphinate | C(C(=O)O)NCP(=O)(O)[O-].[K+] | InChI=1S/C3H8NO5P.K/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);/q;+1/p-1 | LIOPHZNMBKHGAV-UHFFFAOYSA-M | C3H7KNO5P | 207.16 | 206.969891 | null | 110 | 173 | 0 | 3 | 6 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2,6-OCTADIENENITRILE, 3,7-DIMETHYL-, (E)- | 005585-39-7 | 1,551,246 | (2E)-3,7-dimethylocta-2,6-dienenitrile | CC(=CCC/C(=C/C#N)/C)C | InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7+ | HLCSDJLATUNSSI-JXMROGBWSA-N | C10H15N | 149.23 | 149.12045 | 3.3 | 23.8 | 208 | 0 | 0 | 1 | 3 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DIBUTYL ADIPATE | 000105-99-7 | 7,784 | dibutyl hexanedioate | CCCCOC(=O)CCCCC(=O)OCCCC | InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3 | XTJFFFGAUHQWII-UHFFFAOYSA-N | C14H26O4 | 258.35 | 258.183109 | 3.1 | 52.6 | 202 | 0 | 0 | 4 | 13 | 18 | 113 °C c.c. | 183 °C | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
GLYPHOSPHATE ISOPROPYLAMINE SALT | 038641-94-0 | 38,078 | 2-(phosphonomethylamino)acetic acid;propan-2-amine | CC(C)N.C(C(=O)O)NCP(=O)(O)O | InChI=1S/C3H8NO5P.C3H9N/c5-3(6)1-4-2-10(7,8)9;1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3 | ZEKANFGSDXODPD-UHFFFAOYSA-N | C6H17N2O5P | 228.18 | 228.087509 | null | 133 | 173 | 0 | 5 | 7 | 4 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,12-DODECANEDIOL | 005675-51-4 | 79,758 | dodecane-1,12-diol | C(CCCCCCO)CCCCCO | InChI=1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2 | GHLKSLMMWAKNBM-UHFFFAOYSA-N | C12H26O2 | 202.33 | 202.19328 | 4.1 | 40.5 | 82 | 0 | 2 | 2 | 11 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SODIUM OLEATE | 000143-19-1 | 23,665,730 | sodium (Z)-octadec-9-enoate | CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Na+] | InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-; | BCKXLBQYZLBQEK-KVVVOXFISA-M | C18H33NaO2 | 304.4 | 304.237825 | null | 40.1 | 239 | 0 | 0 | 2 | 15 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DISTEARYL THIODIPROPIONATE | 000693-36-7 | 12,738 | octadecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate | CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC | InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3 | PWWSSIYVTQUJQQ-UHFFFAOYSA-N | C42H82O4S | 683.2 | 682.593382 | 18.2 | 77.9 | 574 | 0 | 0 | 5 | 42 | 47 | null | BP: 250 °C at 1 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SODIUM CAPRATE | 001002-62-6 | 4,457,968 | sodium decanoate | CCCCCCCCCC(=O)[O-].[Na+] | InChI=1S/C10H20O2.Na/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1 | FIWQZURFGYXCEO-UHFFFAOYSA-M | C10H19NaO2 | 194.25 | 194.128274 | null | 40.1 | 115 | 0 | 0 | 2 | 8 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
POTASSIUM UNDECYLENATE | 006159-41-7 | 23,692,638 | potassium undec-10-enoate | C=CCCCCCCCCC(=O)[O-].[K+] | InChI=1S/C11H20O2.K/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1 | DEXGNWRKHMRIRB-UHFFFAOYSA-M | C11H19KO2 | 222.37 | 222.102211 | null | 40.1 | 146 | 0 | 0 | 2 | 9 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DIALLYLDIMETHYLAMMONIUM CHLORIDE | 007398-69-8 | 33,286 | dimethyl-bis(prop-2-enyl)azanium chloride | C[N+](C)(CC=C)CC=C.[Cl-] | InChI=1S/C8H16N.ClH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1 | GQOKIYDTHHZSCJ-UHFFFAOYSA-M | C8H16ClN | 161.67 | 161.097127 | null | 0 | 91 | 0 | 0 | 1 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, FORMATE | 000115-99-1 | 61,040 | 3,7-dimethylocta-1,6-dien-3-yl formate | CC(=CCCC(C)(C=C)OC=O)C | InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3 | JZOCDHMHLGUPFI-UHFFFAOYSA-N | C11H18O2 | 182.26 | 182.13068 | 3.3 | 26.3 | 202 | 0 | 0 | 2 | 6 | 13 | null | 100.00 to 103.00 °C. @ 10.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTENEDIOIC ACID (E)-, IRON(2+) SALT (1:1) | 000141-01-5 | 6,433,164 | (E)-but-2-enedioate;iron(2+) | C(=C/C(=O)[O-])\C(=O)[O-].[Fe+2] | InChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1+; | PMVSDNDAUGGCCE-TYYBGVCCSA-L | C4H2FeO4 | 169.9 | 169.930244 | null | 80.3 | 108 | 0 | 0 | 4 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
9-OCTADECENOIC ACID, 12-HYDROXY-, BUTYL ESTER, [R-(Z)]- | 000151-13-3 | 5,354,175 | butyl (Z,12R)-12-hydroxyoctadec-9-enoate | CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCCC)O | InChI=1S/C22H42O3/c1-3-5-7-14-17-21(23)18-15-12-10-8-9-11-13-16-19-22(24)25-20-6-4-2/h12,15,21,23H,3-11,13-14,16-20H2,1-2H3/b15-12-/t21-/m1/s1 | HGWAKQDTQVDVRP-OKULMJQMSA-N | C22H42O3 | 354.6 | 354.313395 | 7.3 | 46.5 | 312 | 0 | 1 | 3 | 19 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HEXADECANE, 1-(ETHENYLOXY)- | 000822-28-6 | 69,971 | 1-ethenoxyhexadecane | CCCCCCCCCCCCCCCCOC=C | InChI=1S/C18H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-4-2/h4H,2-3,5-18H2,1H3 | UKDKWYQGLUUPBF-UHFFFAOYSA-N | C18H36O | 268.5 | 268.276616 | 8.6 | 9.2 | 165 | 0 | 0 | 1 | 16 | 19 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTANEDIOIC ACID, BIS(1-METHYLETHYL) ESTER | 000924-88-9 | 70,213 | dipropan-2-yl butanedioate | CC(C)OC(=O)CCC(=O)OC(C)C | InChI=1S/C10H18O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h7-8H,5-6H2,1-4H3 | YPLYFEUBZLLLIY-UHFFFAOYSA-N | C10H18O4 | 202.25 | 202.120509 | 1.5 | 52.6 | 174 | 0 | 0 | 4 | 7 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-PROPENOIC ACID, 2-METHYL-, 1,5-PENTANEDIYL ESTER | 013675-34-8 | 83,645 | 5-(2-methylprop-2-enoyloxy)pentyl 2-methylprop-2-enoate | CC(=C)C(=O)OCCCCCOC(=O)C(=C)C | InChI=1S/C13H20O4/c1-10(2)12(14)16-8-6-5-7-9-17-13(15)11(3)4/h1,3,5-9H2,2,4H3 | WNGDGLDJIWDQAB-UHFFFAOYSA-N | C13H20O4 | 240.29 | 240.136159 | 3.6 | 52.6 | 275 | 0 | 0 | 4 | 10 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
POLY[OXY(METHYL-1,2-ETHANEDIYL)], .ALPHA.-(1-OXO-9-OCTADECENYL)-.OMEGA.-[(1-OX | 026571-49-3 | 6,441,479 | 3-[(E)-octadec-9-enoyl]oxypropyl (E)-octadec-9-enoate | CCCCCCCC/C=C/CCCCCCCC(=O)OCCCOC(=O)CCCCCCC/C=C/CCCCCCCC | InChI=1S/C39H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(40)42-36-33-37-43-39(41)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-37H2,1-2H3/b19-17+,20-18+ | DAGUWHQPUZIHIC-XPWSMXQVSA-N | C39H72O4 | 605 | 604.543061 | 15.3 | 52.6 | 585 | 0 | 0 | 4 | 36 | 43 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N,N,N-TRIMETHYL-3-[(1-OXO-2-PROPENYL)AMINO]-1-PROPANAMINIUM CHLORIDE | 045021-77-0 | 170,750 | trimethyl-[3-(prop-2-enoylamino)propyl]azanium chloride | C[N+](C)(C)CCCNC(=O)C=C.[Cl-] | InChI=1S/C9H18N2O.ClH/c1-5-9(12)10-7-6-8-11(2,3)4;/h5H,1,6-8H2,2-4H3;1H | OEIXGLMQZVLOQX-UHFFFAOYSA-N | C9H19ClN2O | 206.71 | 206.118591 | null | 29.1 | 158 | 0 | 1 | 2 | 5 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ALUMINUM GALLIUM MAGNESIUM OXIDE | 059871-73-7 | 90,473,798 | aluminum;gallium;magnesium;tetrakis(oxygen(2-)) | [O-2].[O-2].[O-2].[O-2].[Mg+2].[Al+3].[Ga+3] | InChI=1S/Al.Ga.Mg.4O/q2*+3;+2;4*-2 | CUTMNLVLBCXFKH-UHFFFAOYSA-N | AlGaMgO4 | 185.01 | 183.87181 | null | 4 | 0 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ISONONANOIC ACID, COMPD. WITH 2-AMINOETHANOL (1:1) | 067801-50-7 | 163,151 | 2-aminoethanol;7-methyloctanoic acid | CC(C)CCCCCC(=O)O.C(CO)N | InChI=1S/C9H18O2.C2H7NO/c1-8(2)6-4-3-5-7-9(10)11;3-1-2-4/h8H,3-7H2,1-2H3,(H,10,11);4H,1-3H2 | BHOXNOVBYRWXGV-UHFFFAOYSA-N | C11H25NO3 | 219.32 | 219.183444 | null | 83.6 | 118 | 0 | 3 | 4 | 7 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
NEODECANOIC ACID, CERIUM(3+) SALT | 068084-49-1 | 106,564 | cerium(3+);tris(7,7-dimethyloctanoate) | CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Ce+3] | InChI=1S/3C10H20O2.Ce/c3*1-10(2,3)8-6-4-5-7-9(11)12;/h3*4-8H2,1-3H3,(H,11,12);/q;;;+3/p-3 | FGWBAWJNMYHXMA-UHFFFAOYSA-K | C30H57CeO6 | 653.9 | 653.32096 | null | 120 | 128 | 0 | 0 | 6 | 15 | 37 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PHOSPHONIC ACID, [IMINOBIS(2,1-ETHANEDIYLIMINOMETHYLENE)]BIS-, N,N-BIS(PHOSPHO | 068399-68-8 | 90,659,401 | sodium [2-[2-[bis(phosphonomethyl)amino]ethylamino]ethyl-(phosphonomethyl)amino]methylphosphonic acid | C(CN(CP(=O)(O)O)CP(=O)(O)O)NCCN(CP(=O)(O)O)CP(=O)(O)O.[Na+] | InChI=1S/C8H25N3O12P4.Na/c12-24(13,14)5-10(6-25(15,16)17)3-1-9-2-4-11(7-26(18,19)20)8-27(21,22)23;/h9H,1-8H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23);/q;+1 | PQYKVMYEZRFIKZ-UHFFFAOYSA-N | C8H25N3NaO12P4+ | 502.18 | 502.028641 | null | 249 | 535 | 1 | 9 | 15 | 14 | 28 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPYL (2S)-2-(1,1-DIMETHYLPROPOXY)-PROPANOATE | 319002-92-1 | 16,063,805 | propyl (2S)-2-(2-methylbutan-2-yloxy)propanoate | CCCOC(=O)[C@H](C)OC(C)(C)CC | InChI=1S/C11H22O3/c1-6-8-13-10(12)9(3)14-11(4,5)7-2/h9H,6-8H2,1-5H3/t9-/m0/s1 | KPUAQAYQMYWKBV-VIFPVBQESA-N | C11H22O3 | 202.29 | 202.156895 | 2.8 | 35.5 | 175 | 0 | 0 | 3 | 7 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
POTASSIUM IMINODIACETATE | 00000z-0052 | 18,769,479 | dipotassium;2-(carboxylatomethylamino)acetate | C(C(=O)[O-])NCC(=O)[O-].[K+].[K+] | InChI=1S/C4H7NO4.2K/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2 | XEQIERZCOHTONL-UHFFFAOYSA-L | C4H5K2NO4 | 209.28 | 208.949271 | null | 92.3 | 96 | 0 | 1 | 5 | 2 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
MANGANESE, BIS(2-HYDROXYPROPANOATO-O1,O2)- | 074051-88-0 | 153,528 | bis(2-hydroxypropanoate);manganese(2+) | CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Mn+2] | InChI=1S/2C3H6O3.Mn/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2 | KSNGEYQWLMRSIR-UHFFFAOYSA-L | C6H10MnO6 | 233.08 | 232.985781 | null | 121 | 53 | 0 | 2 | 6 | 0 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CHROMIC TRIHYDROXIDE/CHROMIC (III) ACID | 001308-14-1 | 14,787 | chromium;trihydrate | O.O.O.[Cr] | InChI=1S/Cr.3H2O/h;3*1H2 | LXMQZGGLHVSEBA-UHFFFAOYSA-N | CrH6O3 | 106.042 | 105.972199 | null | 3 | 3 | 0 | 3 | 3 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1-DICHLORO-1-FLUOROETHANE | 001717-00-6 | 15,586 | 1,1-dichloro-1-fluoroethane | CC(F)(Cl)Cl | InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3 | FRCHKSNAZZFGCA-UHFFFAOYSA-N | C2H3Cl2F | 116.95 | 115.959584 | 2.2 | 0 | 34 | 0 | 0 | 1 | 0 | 5 | null | 32 °C | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
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