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