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
ETHYL 2-CYANOACRYLATE
007085-85-0
81,530
ethyl 2-cyanoprop-2-enoate
CCOC(=O)C(=C)C#N
InChI=1S/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3
FGBJXOREULPLGL-UHFFFAOYSA-N
C6H7NO2
125.13
125.047679
1
50.1
175
0
0
3
3
9
82.78 °C (closed cup)
55 °C at 3 mm Hg
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
3,7-DIMETHYL-3-OCTANOL
000078-69-3
6,548
3,7-dimethyloctan-3-ol
CCC(C)(CCCC(C)C)O
InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
DLHQZZUEERVIGQ-UHFFFAOYSA-N
C10H22O
158.28
158.167065
3.3
20.2
99
0
1
1
5
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
DODECAMETHYLPENTASILOXANE
000141-63-9
8,853
bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3
FBZANXDWQAVSTQ-UHFFFAOYSA-N
C12H36O4Si5
384.84
384.145992
null
36.9
313
0
0
4
8
21
null
230 °C
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
2-PROPENOIC ACID, 2-ETHYLHEXYL ESTER
000103-11-7
7,636
2-ethylhexyl prop-2-enoate
CCCCC(CC)COC(=O)C=C
InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3
GOXQRTZXKQZDDN-UHFFFAOYSA-N
C11H20O2
184.27
184.14633
3.8
26.3
152
0
0
2
8
13
180 °F (NTP, 1992)
417 to 424 °F at 760 mmHg (NTP, 1992)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
1
0
1
2-ETHYLHEXYL METHACRYLATE
000688-84-6
12,713
2-ethylhexyl 2-methylprop-2-enoate
CCCCC(CC)COC(=O)C(=C)C
InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3
WDQMWEYDKDCEHT-UHFFFAOYSA-N
C12H22O2
198.3
198.16198
4.5
26.3
185
0
0
2
8
14
92 °C
110 °C @ 14 mm Hg
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
1
3,7-DIMETHYL-1,6-OCTADIEN-3-OL ACETATE
000115-95-7
8,294
3,7-dimethylocta-1,6-dien-3-yl acetate
CC(=CCCC(C)(C=C)OC(=O)C)C
InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
UWKAYLJWKGQEPM-UHFFFAOYSA-N
C12H20O2
196.29
196.14633
3.3
26.3
237
0
0
2
6
14
94 °C (201 °F) - closed cup
221 °C
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
2-Propenoic acid, isooctyl ester
029590-42-9
165,746
6-methylheptyl prop-2-enoate
CC(C)CCCCCOC(=O)C=C
InChI=1S/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3
DXPPIEDUBFUSEZ-UHFFFAOYSA-N
C11H20O2
184.27
184.14633
4.2
26.3
150
0
0
2
8
13
91 °C
196.8 °C
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
SULFUR (POWDER, CRYSTALS, FLAKES, PIECES)
007704-34-9
5,362,487
sulfane
S
InChI=1S/S
NINIDFKCEFEMDL-UHFFFAOYSA-N
S
32.07
31.972071
0.5
1
0
0
0
1
0
1
405 °F (207 °C) (Closed cup)
444.61 °C
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
1-METHYL-3-NITRO-1-NITROSOGUANIDINE
000070-25-7
135,436,526
1-methyl-3-nitro-1-nitrosoguanidine
CN(C(=N)N[N+](=O)[O-])N=O
InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)
VZUNGTLZRAYYDE-UHFFFAOYSA-N
C2H5N5O3
147.09
147.039239
0.1
114
161
0
2
5
2
10
null
BP: 89-97 °C at 225 °C
0
0
1
0
0
1
1
1
0
0
0
0
0
0
0
0
1
0
0
0
TETRAMETHYLAMMONIUM IODIDE
000075-58-1
6,381
tetramethylazanium iodide
C[N+](C)(C)C.[I-]
InChI=1S/C4H12N.HI/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1
RXMRGBVLCSYIBO-UHFFFAOYSA-M
C4H12IN
201.05
201.00145
null
0
19
0
0
1
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SODIUM MOLYBDATE
007631-95-0
61,424
disodium;dioxido(dioxo)molybdenum
[O-][Mo](=O)(=O)[O-].[Na+].[Na+]
InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1
TVXXNOYZHKPKGW-UHFFFAOYSA-N
MoNa2O4
205.93
207.864601
null
80.3
62
0
0
4
0
7
null
null
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUORO-1-HEXANESULFONIC ACID POTASSIUM SALT
003871-99-6
23,678,874
potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate
C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F.[K+]
InChI=1S/C6HF13O3S.K/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H,20,21,22);/q;+1/p-1
RSCGQEBKFSGWJT-UHFFFAOYSA-M
C6F13KO3S
438.21
437.899763
null
65.6
559
0
0
16
5
24
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
NONANOIC ACID, 2-PROPENYL ESTER
007493-72-3
61,410
prop-2-enyl nonanoate
CCCCCCCCC(=O)OCC=C
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3
MFLWLDDOGSNSKO-UHFFFAOYSA-N
C12H22O2
198.3
198.16198
4.3
26.3
152
0
0
2
10
14
84 °F (NTP, 1992)
189 to 196 °F at 3 mmHg (NTP, 1992)
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SILICON TETRACHLORIDE
010026-04-7
24,816
tetrachlorosilane
[Si](Cl)(Cl)(Cl)Cl
InChI=1S/Cl4Si/c1-5(2,3)4
FDNAPBUWERUEDA-UHFFFAOYSA-N
Cl4Si
169.9
169.849387
null
0
19
0
0
0
0
5
null
135.7 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
DIPOTASSIUM CHROMATE
007789-00-6
24,597
dipotassium;dioxido(dioxo)chromium
[O-][Cr](=O)(=O)[O-].[K+].[K+]
InChI=1S/Cr.2K.4O/q;2*+1;;;2*-1
XMXNVYPJWBTAHN-UHFFFAOYSA-N
CrK2O4
194.19
193.847576
null
80.3
62
0
0
4
0
7
null
1000 °C
1
0
0
0
0
1
1
1
0
0
1
0
0
0
0
0
1
1
0
1
POTASSIUM METABISULFITE
016731-55-8
28,019
null
[O-]S(=O)S(=O)(=O)[O-].[K+].[K+]
InChI=1S/2K.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2
RWPGFSMJFRPDDP-UHFFFAOYSA-L
K2O5S2
222.33
221.846128
null
125
136
0
0
6
0
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
HEXAMETHYLENE DIISOCYANATE
000822-06-0
13,192
1,6-diisocyanatohexane
C(CCCN=C=O)CCN=C=O
InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
RRAMGCGOFNQTLD-UHFFFAOYSA-N
C8H12N2O2
168.19
168.089878
3.2
58.9
169
0
0
4
7
12
284 °F (NTP, 1992)
491 °F at 760 mmHg (NTP, 1992)
0
0
1
0
0
0
0
1
0
0
0
0
0
0
1
0
1
1
0
1
DIBUTYL OXALATE
002050-60-4
16,306
dibutyl oxalate
CCCCOC(=O)C(=O)OCCCC
InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3
JKRZOJADNVOXPM-UHFFFAOYSA-N
C10H18O4
202.25
202.120509
2.3
52.6
157
0
0
4
9
14
null
241.00 °C. @ 760.00 mm Hg
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
POLYETHYLENE GLYCOL LAURYL ETHER SULFATE, AMMONIUM SALT
032612-48-9
61,913
azane;2-dodecoxyethyl hydrogen sulfate
CCCCCCCCCCCCOCCOS(=O)(=O)O.N
InChI=1S/C14H30O5S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);1H3
OPVLOHUACNWTQT-UHFFFAOYSA-N
C14H33NO5S
327.48
327.207944
null
82.2
284
0
2
6
15
21
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
3,6,9,12,15-PENTAOXAHEPTACOSAN-1-OL
003055-95-6
18,281
2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CCCCCCCCCCCCOCCOCCOCCOCCOCCO
InChI=1S/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3
LAPRIVJANDLWOK-UHFFFAOYSA-N
C22H46O6
406.6
406.329439
4.5
66.4
265
0
1
6
25
28
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-[2-(DODECYLOXY)ETHOXY]ETHANOL HYDROGEN SULFATE, SODIUM SALT
003088-31-1
23,682,204
sodium 2-(2-dodecoxyethoxy)ethyl sulfate
CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-].[Na+]
InChI=1S/C16H34O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14-21-15-16-22-23(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1
GUQPDKHHVFLXHS-UHFFFAOYSA-M
C16H33NaO6S
376.5
376.189554
null
93.3
332
0
0
6
18
24
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
POTASSIUM SULFITE
010117-38-1
24,958
dipotassium;sulfite
[O-]S(=O)[O-].[K+].[K+]
InChI=1S/2K.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2
BHZRJJOHZFYXTO-UHFFFAOYSA-L
K2O3S
158.26
157.884228
null
82.4
18
0
0
4
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-METHYLGLUTARIC ACID
018069-17-5
12,046
2-methylpentanedioic acid
CC(CCC(=O)O)C(=O)O
InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
AQYCMVICBNBXNA-UHFFFAOYSA-N
C6H10O4
146.14
146.057909
0.1
74.6
141
0
2
4
4
10
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
L-CYSTEINE HYDROCHLORIDE MONOHYDRATE
007048-04-6
23,462
(2R)-2-amino-3-sulfanylpropanoic acid;hydrate;hydrochloride
C([C@@H](C(=O)O)N)S.O.Cl
InChI=1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2/t2-;;/m0../s1
QIJRTFXNRTXDIP-JIZZDEOASA-N
C3H10ClNO3S
175.64
175.006992
null
65.3
75
0
5
5
2
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
5,5,5-TRIFLUORO-DL-LEUCINE
002792-72-5
259,832
2-amino-5,5,5-trifluoro-4-methylpentanoic acid
CC(CC(C(=O)O)N)C(F)(F)F
InChI=1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)
XFGVJLGVINCWDP-UHFFFAOYSA-N
C6H10F3NO2
185.14
185.066363
-0.9
63.3
169
0
2
6
3
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
MANGANESE(II) ACETATE TETRAHYDRATE
006156-78-1
93,021
manganese(2+);diacetate;tetrahydrate
CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Mn+2]
InChI=1S/2C2H4O2.Mn.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2
CESXSDZNZGSWSP-UHFFFAOYSA-L
C4H14MnO8
245.09
245.00691
null
84.3
25
0
4
8
0
13
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
BRIJ 58
009004-95-9
2,724,259
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI=1S/C56H114O21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-58-19-21-60-23-25-62-27-29-64-31-33-66-35-37-68-39-41-70-43-45-72-47-49-74-51-53-76-55-56-77-54-52-75-50-48-73-46-44-71-42-40-69-38-36-67-34-32-65-30-28-63-26-24-61-22-20-59-18-16-57/h57H,2-56H2,1H3
NLMKTBGFQGKQEV-UHFFFAOYSA-N
C56H114O21
1,123.5
1,122.785261
4.5
205
999
0
1
21
74
77
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TETRABUTYLAMMONIUM CHLORIDE
001112-67-0
70,681
tetrabutylazanium chloride
CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]
InChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
NHGXDBSUJJNIRV-UHFFFAOYSA-M
C16H36ClN
277.9
277.253628
null
0
116
0
0
1
12
18
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TETRABUTYLAMMONIUM DIHYDROGEN PHOSPHATE
005574-97-0
2,735,142
dihydrogen phosphate;tetrabutylazanium
CCCC[N+](CCCC)(CCCC)CCCC.OP(=O)(O)[O-]
InChI=1S/C16H36N.H3O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1
ARRNBPCNZJXHRJ-UHFFFAOYSA-M
C16H38NO4P
339.45
339.253846
null
80.6
166
0
2
4
12
22
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TETRADECANAMINE
002016-42-4
16,217
tetradecan-1-amine
CCCCCCCCCCCCCCN
InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3
PLZVEHJLHYMBBY-UHFFFAOYSA-N
C14H31N
213.4
213.24565
6.4
26
102
0
1
1
12
15
null
null
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
MANGANESE(II) ACETATE
000638-38-0
12,525
manganese(2+) diacetate
CC(=O)[O-].CC(=O)[O-].[Mn+2]
InChI=1S/2C2H4O2.Mn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
UOGMEBQRZBEZQT-UHFFFAOYSA-L
C4H6MnO4
173.03
172.964652
null
80.3
25
0
0
4
0
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
2-((2-METHYL-1-OXOALLYL)OXY)ETHYL ACETOACETATE
021282-97-3
88,855
2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate
CC(=C)C(=O)OCCOC(=O)CC(=O)C
InChI=1S/C10H14O5/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11/h1,4-6H2,2-3H3
IBDVWXAVKPRHCU-UHFFFAOYSA-N
C10H14O5
214.21
214.084124
0.8
69.7
280
0
0
5
8
15
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
GLYCINE, N,N-DIMETHYL-, HYDRAZIDE, MONOHYDROCHLORIDE
000539-64-0
68,318
2-(dimethylamino)acetohydrazide;hydrochloride
CN(C)CC(=O)NN.Cl
InChI=1S/C4H11N3O.ClH/c1-7(2)3-4(8)6-5;/h3,5H2,1-2H3,(H,6,8);1H
OBXBQDQBTXIDCA-UHFFFAOYSA-N
C4H12ClN3O
153.61
153.06689
null
58.4
81
0
3
3
2
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
3,6,9,12-TETRAOXATETRACOSAN-1-OL
005274-68-0
78,933
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethanol
CCCCCCCCCCCCOCCOCCOCCOCCO
InChI=1S/C20H42O5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h21H,2-20H2,1H3
WPMWEFXCIYCJSA-UHFFFAOYSA-N
C20H42O5
362.5
362.303224
4.7
57.2
226
0
1
5
22
25
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
AMMONIUM BISULFITE
010192-30-0
10,441,651
azanium hydrogen sulfite
[NH4+].OS(=O)[O-]
InChI=1S/H3N.H2O3S/c;1-4(2)3/h1H3;(H2,1,2,3)
ZETCGWYACBNPIH-UHFFFAOYSA-N
H5NO3S
99.11
98.999014
null
80.6
24
0
2
4
0
5
null
Sublimates at 302.0 °F (USCG, 1999)
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
BIS(TETRABUTYLAMMONIUM)SULPHATE
002472-88-0
11,433,187
bis(tetrabutylazanium);sulfate
CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)[O-]
InChI=1S/2C16H36N.H2O4S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h2*5-16H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2
ZXUCBXRTRRIBSO-UHFFFAOYSA-L
C32H72N2O4S
581
580.52128
null
88.6
178
0
0
4
24
39
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
GLYOXAL
000107-22-2
7,860
oxaldehyde
C(=O)C=O
InChI=1S/C2H2O2/c3-1-2-4/h1-2H
LEQAOMBKQFMDFZ-UHFFFAOYSA-N
C2H2O2
58.04
58.005479
-0.4
34.1
25
0
0
2
1
4
428 °F (NTP, 1992)
124 °F at 776 mmHg (NTP, 1992)
0
0
1
0
0
0
0
1
0
0
1
0
0
0
0
0
1
1
0
0
2-(DIETHYLAMINO)ETHYL METHACRYLATE
000105-16-8
61,012
2-(diethylamino)ethyl 2-methylprop-2-enoate
CCN(CC)CCOC(=O)C(=C)C
InChI=1S/C10H19NO2/c1-5-11(6-2)7-8-13-10(12)9(3)4/h3,5-8H2,1-2,4H3
SJIXRGNQPBQWMK-UHFFFAOYSA-N
C10H19NO2
185.26
185.141579
1.9
29.5
174
0
0
3
7
13
null
BP: 80 °C at 10 mm Hg
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
2,2-DICHLOROPROPIONIC ACID
000075-99-0
6,418
2,2-dichloropropanoic acid
CC(C(=O)O)(Cl)Cl
InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
NDUPDOJHUQKPAG-UHFFFAOYSA-N
C3H4Cl2O2
142.97
141.958835
1.3
37.3
88
0
1
2
1
7
null
374 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
TRICHLOROETHYLENE
000079-01-6
6,575
1,1,2-trichloroethene
C(=C(Cl)Cl)Cl
InChI=1S/C2HCl3/c3-1-2(4)5/h1H
XSTXAVWGXDQKEL-UHFFFAOYSA-N
C2HCl3
131.38
129.914383
2.6
0
42
0
0
0
0
5
greater than 200 °F (NTP, 1992)
189 °F at 760 mmHg (NTP, 1992)
0
0
0
0
0
1
1
1
0
0
1
0
0
0
0
0
1
0
0
1
DIBUTYL PHOSPHITE
001809-19-4
6,327,349
dibutoxy(oxo)phosphanium
CCCCO[P+](=O)OCCCC
InChI=1S/C8H18O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3/q+1
OSPSWZSRKYCQPF-UHFFFAOYSA-N
C8H18O3P+
193.2
193.099356
2.5
35.5
105
1
0
3
8
12
120 °F (NFPA, 2010)
95 °C at 1 mm Hg
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
OLEOYL SARCOSINE
000110-25-8
6,912,870
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid
CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(=O)O
InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)/b11-10-
DIOYAVUHUXAUPX-KHPPLWFESA-N
C21H39NO3
353.5
353.292994
6.8
57.6
366
0
1
3
17
25
null
null
1
0
1
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
CLOSTRIPAIN
009028-00-6
168,010,009
hexakis(2,7-dimethyloctan-4-ol);hexakis(2,7-dimethyloct-4-ene);molecular hydrogen;propane
[HH].[HH].[HH].[HH].[HH].[HH].CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C.CC(C)C...
InChI=1S/6C10H22O.6C10H20.24C3H8.6H2/c6*1-8(2)5-6-10(11)7-9(3)4;6*1-9(2)7-5-6-8-10(3)4;24*1-3-2;;;;;;/h6*8-11H,5-7H2,1-4H3;6*5-6,9-10H,7-8H2,1-4H3;24*3H2,1-2H3;6*1H
SRMJIROQHUCOER-UHFFFAOYSA-N
C192H456O6
2,862
2,861.544412
null
121
163
0
6
6
54
198
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
1
0
0
1
9-OCTADECENAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-12-HYDROXY-, [R-(Z)]-
020457-75-4
6,436,523
(Z,12R)-N-[3-(dimethylamino)propyl]-12-hydroxyoctadec-9-enamide
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCCN(C)C)O
InChI=1S/C23H46N2O2/c1-4-5-6-13-17-22(26)18-14-11-9-7-8-10-12-15-19-23(27)24-20-16-21-25(2)3/h11,14,22,26H,4-10,12-13,15-21H2,1-3H3,(H,24,27)/b14-11-/t22-/m1/s1
DWIUBTKCNCCGOO-QOYCNBSOSA-N
C23H46N2O2
382.6
382.355929
5.9
52.6
356
0
2
3
19
27
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
HEXADECANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-
039669-97-1
38,313
N-[3-(dimethylamino)propyl]hexadecanamide
CCCCCCCCCCCCCCCC(=O)NCCCN(C)C
InChI=1S/C21H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3/h4-20H2,1-3H3,(H,22,24)
BDHJUCZXTYXGCZ-UHFFFAOYSA-N
C21H44N2O
340.6
340.345364
7.3
32.3
267
0
1
2
18
24
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TETRADECANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-
045267-19-4
170,759
N-[3-(dimethylamino)propyl]tetradecanamide
CCCCCCCCCCCCCC(=O)NCCCN(C)C
InChI=1S/C19H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(2)3/h4-18H2,1-3H3,(H,20,22)
IFYDWYVPVAMGRO-UHFFFAOYSA-N
C19H40N2O
312.5
312.314064
6.2
32.3
242
0
1
2
16
22
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
NONANOIC ACID
000112-05-0
8,158
nonanoic acid
CCCCCCCCC(=O)O
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
FBUKVWPVBMHYJY-UHFFFAOYSA-N
C9H18O2
158.24
158.13068
3.5
37.3
99
0
1
2
7
11
133 °C (open cup)
254.5 °C
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM PHOSPHATE, TRIBASIC
007601-54-9
24,243
trisodium;phosphate
[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]
InChI=1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3
RYFMWSXOAZQYPI-UHFFFAOYSA-K
Na3O4P
163.941
163.922728
null
86.3
36
0
0
4
0
8
null
The hydrate loses 11 moles of water at 212 °F. (USCG, 1999)
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
(E)-4-(TERT-BUTOXY)-4-OXOBUT-2-ENOIC ACID
135355-96-3
5,797,551
(E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
CC(C)(C)OC(=O)/C=C/C(=O)O
InChI=1S/C8H12O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)/b5-4+
BAXKSCVINAKVNE-SNAWJCMRSA-N
C8H12O4
172.18
172.073559
0.9
63.6
210
0
1
4
4
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SILANE, TRIETHOXY(2-METHYLPROPYL)-
017980-47-1
87,391
triethoxy(2-methylpropyl)silane
CCO[Si](CC(C)C)(OCC)OCC
InChI=1S/C10H24O3Si/c1-6-11-14(12-7-2,13-8-3)9-10(4)5/h10H,6-9H2,1-5H3
ALVYUZIFSCKIFP-UHFFFAOYSA-N
C10H24O3Si
220.38
220.149471
null
27.7
122
0
0
3
8
14
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ETHANAMINE, N,N-DIETHYL-, SULFATE
054272-29-6
171,330
N,N-diethylethanamine;sulfuric acid
CCN(CC)CC.OS(=O)(=O)O
InChI=1S/C6H15N.H2O4S/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H2,1,2,3,4)
JNONJXMVMJSMTC-UHFFFAOYSA-N
C6H17NO4S
199.27
199.087829
null
86.2
107
0
2
5
3
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
DECENOIC ACID
072881-27-7
5,282,724
(E)-dec-2-enoic acid
CCCCCCC/C=C/C(=O)O
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+
WXBXVVIUZANZAU-CMDGGOBGSA-N
C10H18O2
170.25
170.13068
3.8
37.3
139
0
1
2
7
12
null
161.00 to 162.00 °C. @ 15.00 mm Hg
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
DIBUTYL MALEATE
000105-76-0
5,271,569
dibutyl (Z)-but-2-enedioate
CCCCOC(=O)/C=C\C(=O)OCCCC
InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
JBSLOWBPDRZSMB-FPLPWBNLSA-N
C12H20O4
228.28
228.136159
2.7
52.6
209
0
0
4
10
16
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
1
1
2-HYDROXYETHYL METHACRYLATE
000868-77-9
13,360
2-hydroxyethyl 2-methylprop-2-enoate
CC(=C)C(=O)OCCO
InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3
WOBHKFSMXKNTIM-UHFFFAOYSA-N
C6H10O3
130.14
130.062994
0.5
46.5
117
0
1
3
4
9
97 °C (closed cup)
67 °C @ 3.5 mm Hg
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
FARNESOL
004602-84-0
445,070
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
CRDAMVZIKSXKFV-YFVJMOTDSA-N
C15H26O
222.37
222.198365
4.8
20.2
265
0
1
1
7
16
null
230 to 235 °F at 760 mmHg (NTP, 1992)
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
TRIPROPYLENEGLYCOL DIACRYLATE
042978-66-5
4,128,060
2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C
InChI=1S/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3
LJRSZGKUUZPHEB-UHFFFAOYSA-N
C15H24O6
300.35
300.157289
2.2
71.1
352
0
0
6
13
21
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
1
ZINC DI-N-BUTYLDITHIOCARBAMATE
000136-23-2
5,284,483
zinc bis(N,N-dibutylcarbamodithioate)
CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2]
InChI=1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2
BOXSVZNGTQTENJ-UHFFFAOYSA-L
C18H36N2S4Zn
474.1
472.105276
null
72.7
112
0
0
4
12
25
null
Decomposes at 296 °C
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
1
METHYL 2-CYANOACRYLATE
000137-05-3
8,711
methyl 2-cyanoprop-2-enoate
COC(=O)C(=C)C#N
InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3
MWCLLHOVUTZFKS-UHFFFAOYSA-N
C5H5NO2
111.1
111.032028
0.6
50.1
163
0
0
3
2
8
174 °F (NIOSH, 2024)
117 to 120 °F at 1.8 mmHg (NTP, 1992)
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TIN 2-ETHYLHEXANOATE
000301-10-0
9,318
bis(2-ethylhexanoate);tin(2+)
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2]
InChI=1S/2C8H16O2.Sn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
KSBAEPSJVUENNK-UHFFFAOYSA-L
C16H30O4Sn
405.1
406.116612
null
80.3
93
0
0
4
8
21
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
1
0
0
1
1
0
0
CESIUM CARBONATE
000534-17-8
10,796
dicesium;carbonate
C(=O)([O-])[O-].[Cs+].[Cs+]
InChI=1S/CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
FJDQFPXHSGXQBY-UHFFFAOYSA-L
CCs2O3
325.82
325.795648
null
63.2
18
0
0
3
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
0
1
1
ITACONIC ACID
000097-65-4
811
2-methylidenebutanedioic acid
C=C(CC(=O)O)C(=O)O
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
LVHBHZANLOWSRM-UHFFFAOYSA-N
C5H6O4
130.1
130.026609
-0.1
74.6
158
0
2
4
3
9
null
268 °C, SUBLIMES
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
NEOPENTYL GLYCOL
000126-30-7
31,344
2,2-dimethylpropane-1,3-diol
CC(C)(CO)CO
InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3
SLCVBVWXLSEKPL-UHFFFAOYSA-N
C5H12O2
104.15
104.08373
0
40.5
44
0
2
2
2
7
225 °F (USCG, 1999)
406.4 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, MONOBUTYL ESTER, MONOPOTASSIUM SALT
025238-99-7
23,672,342
potassium butyl hydrogen phosphate
CCCCOP(=O)(O)[O-].[K+]
InChI=1S/C4H11O4P.K/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1/p-1
XAACWXXRFIOVSG-UHFFFAOYSA-M
C4H10KO4P
192.19
191.995377
null
69.6
118
0
1
4
4
10
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
POTASSIUM BROMIDE
007758-02-3
253,877
potassium bromide
[K+].[Br-]
InChI=1S/BrH.K/h1H;/q;+1/p-1
IOLCXVTUBQKXJR-UHFFFAOYSA-M
BrK
119
117.88204
null
0
2
0
0
1
0
2
null
2615 °F at 760 mmHg (NTP, 1992)
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
CITRIC ACID MONOHYDRATE
005949-29-1
22,230
2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
InChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
YASYEJJMZJALEJ-UHFFFAOYSA-N
C6H10O8
210.14
210.037567
null
133
227
0
5
8
5
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TIN(II) PYROPHOSPHATE
015578-26-4
66,379
phosphonato phosphate;bis(tin(2+))
[O-]P(=O)([O-])OP(=O)([O-])[O-].[Sn+2].[Sn+2]
InChI=1S/H4O7P2.2Sn/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);;/q;2*+2/p-4
GEZAUFNYMZVOFV-UHFFFAOYSA-J
O7P2Sn2
411.36
411.71574
null
136
124
0
0
7
0
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
POLYETHYLENE GLYCOL MONOSTEARATE
009004-99-3
24,762
2-hydroxyethyl octadecanoate
CCCCCCCCCCCCCCCCCC(=O)OCCO
InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3
RFVNOJDQRGSOEL-UHFFFAOYSA-N
C20H40O3
328.5
328.297745
7.8
46.5
241
0
1
3
19
23
MYRJ 45: 500 °F OC
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
POTASSIUM TETRAFLUOROBORATE
014075-53-7
518,872
potassium tetrafluoroborate
[B-](F)(F)(F)F.[K+]
InChI=1S/BF4.K/c2-1(3,4)5;/q-1;+1
AKEBROIVCDHVSD-UHFFFAOYSA-N
BF4K
125.91
125.966624
null
0
23
0
0
5
0
6
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
PROPANOIC ACID, 2-HYDROXY-, MONOAMMONIUM SALT
000515-98-0
62,358
azanium 2-hydroxypropanoate
CC(C(=O)[O-])O.[NH4+]
InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3
RZOBLYBZQXQGFY-UHFFFAOYSA-N
C3H9NO3
107.11
107.058243
null
61.4
53
0
2
3
0
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SULFURIC ACID, INDIUM(3+) SALT (3:2)
013464-82-9
26,044
bis(indium(3+));trisulfate
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[In+3].[In+3]
InChI=1S/2In.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
XGCKLPDYTQRDTR-UHFFFAOYSA-H
In2O12S3
517.8
517.662947
null
266
62
0
0
12
0
17
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
(OC-6-11)-HEXAFLUOROALUMINATE(3-) TRIPOTASSIUM
013775-52-5
160,989
aluminum;tripotassium;hexafluoride
[F-].[F-].[F-].[F-].[F-].[F-].[Al+3].[K+].[K+].[K+]
InChI=1S/Al.6FH.3K/h;6*1H;;;/q+3;;;;;;;3*+1/p-6
ZIZQEDPMQXFXTE-UHFFFAOYSA-H
AlF6K3
258.267
257.863077
null
0
0
0
0
6
0
10
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ISODECANOL
025339-17-7
32,898
8-methylnonan-1-ol
CC(C)CCCCCCCO
InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3
PLLBRTOLHQQAQQ-UHFFFAOYSA-N
C10H22O
158.28
158.167065
3.8
20.2
69
0
1
1
7
11
220 °F (USCG, 1999)
428 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
6-OCTEN-1-YN-3-OL, 3,7-DIMETHYL-
029171-20-8
62,842
3,7-dimethyloct-6-en-1-yn-3-ol
CC(=CCCC(C)(C#C)O)C
InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3
YWTIDNZYLFTNQQ-UHFFFAOYSA-N
C10H16O
152.23
152.120115
2.2
20.2
190
0
1
1
4
11
85 °C
198.00 to 199.00 °C. @ 760.00 mm Hg
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
OLEAMIDE
000301-02-0
5,283,387
(Z)-octadec-9-enamide
CCCCCCCC/C=C\CCCCCCCC(=O)N
InChI=1S/C18H35NO/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,(H2,19,20)/b10-9-
FATBGEAMYMYZAF-KTKRTIGZSA-N
C18H35NO
281.5
281.271865
6.6
43.1
236
0
1
1
15
20
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
1-HEXADECEN-3-OL, 3,7,11,15-TETRAMETHYL-
000505-32-8
10,453
3,7,11,15-tetramethylhexadec-1-en-3-ol
CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
KEVYVLWNCKMXJX-UHFFFAOYSA-N
C20H40O
296.5
296.307916
7.8
20.2
259
0
1
1
13
21
null
107-110 °C at 0.01 mm Hg; 125-128 °C at 0.06 mm Hg
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
INDIUM OXIDE
001312-43-2
150,905
bis(indium(3+));tris(oxygen(2-))
[O-2].[O-2].[O-2].[In+3].[In+3]
InChI=1S/2In.3O/q2*+3;3*-2
PJXISJQVUVHSOJ-UHFFFAOYSA-N
In2O3
277.63
277.792501
null
3
0
0
0
3
0
5
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
1
VANADIUM TRIOXIDE
001314-34-7
518,710
oxo(oxovanadiooxy)vanadium
O=[V]O[V]=O
InChI=1S/3O.2V
KFAFTZQGYMGWLU-UHFFFAOYSA-N
O3V2
149.881
149.872659
null
43.4
34
0
0
3
0
5
null
Approximately 3000 °C
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
HEXACHLOROETHANE
000067-72-1
6,214
1,1,1,2,2,2-hexachloroethane
C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl
InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8
VHHHONWQHHHLTI-UHFFFAOYSA-N
C2Cl6
236.7
235.810166
4.1
0
61
0
0
0
0
8
null
368.2 °F at 760 mmHg (Sublimes) (NTP, 1992)
1
0
0
0
0
1
1
1
0
0
0
0
0
0
0
0
1
0
0
1
TETRAKIS(2-METHOXYETHOXY)SILANE
002157-45-1
75,087
tetrakis(2-methoxyethyl) silicate
COCCO[Si](OCCOC)(OCCOC)OCCOC
InChI=1S/C12H28O8Si/c1-13-5-9-17-21(18-10-6-14-2,19-11-7-15-3)20-12-8-16-4/h5-12H2,1-4H3
JSECNWXDEZOMPD-UHFFFAOYSA-N
C12H28O8Si
328.43
328.155344
null
73.8
174
0
0
8
16
21
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
0
0
0
BORIC ACID, POTASSIUM SALT
012712-38-8
12,816,516
tripotassium;borate
B([O-])([O-])[O-].[K+].[K+].[K+]
InChI=1S/BO3.3K/c2-1(3)4;;;/q-3;3*+1
WUUHFRRPHJEEKV-UHFFFAOYSA-N
BK3O3
176.11
175.885169
null
69.2
8
0
0
3
0
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
0
0
1
BORIC ACID (HBO2), CALCIUM SALT
013701-64-9
10,290,800
calcium oxido(oxo)borane
B(=O)[O-].B(=O)[O-].[Ca+2]
InChI=1S/2BO2.Ca/c2*2-1-3;/q2*-1;+2
ILOKQJWLMPPMQU-UHFFFAOYSA-N
B2CaO4
125.7
125.96086
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
1
0
0
1
BORIC ACID (HBO2), SODIUM SALT
007775-19-1
145,326
sodium oxido(oxo)borane
B(=O)[O-].[Na+]
InChI=1S/BO2.Na/c2-1-3;/q-1;+1
NVIFVTYDZMXWGX-UHFFFAOYSA-N
BNaO2
65.8
65.988904
null
40.1
13
0
0
2
0
4
null
1434 °C
0
0
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
0
0
0
YTTRIUM 2-ETHYLHEXANOATE
103470-68-4
15,607,674
tris(2-ethylhexanoate);yttrium(3+)
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Y+3]
InChI=1S/3C8H16O2.Y/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
AGOMHFKGCMKLDA-UHFFFAOYSA-K
C24H45O6Y
518.5
518.227452
null
120
93
0
0
6
12
31
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
0
0
1
AMMONIUM PENTABORATE TETRAHYDRATE
012229-12-8
16,204,493
azanium pentaborate
B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[NH4+]
InChI=1S/5BO3.H3N/c5*2-1(3)4;/h;;;;;1H3/q5*-3;/p+1
KYFDJSOTPVQVTQ-UHFFFAOYSA-O
B5H4NO15-14
312.1
312.008251
null
347
8
-14
1
15
0
21
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
5,7,12-TRIOXA-6-STANNAOCTADECA-2,9-DIENOIC ACID, 14-ETHYL-6,6-DIOCTYL-4,8,11-T
010039-33-5
16,684,161
4-O-[[(E)-4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-(2-ethylhexyl) (E)-but-2-enedioate
CCCCCCCC[Sn](OC(=O)/C=C/C(=O)OCC(CCCC)CC)(OC(=O)/C=C/C(=O)OCC(CCCC)CC)CCCCCCCC
InChI=1S/2C12H20O4.2C8H17.Sn/c2*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;2*1-3-5-7-8-6-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*8-7+;;;
LUHRVCWDUSUHMP-FTHVFMQUSA-L
C40H72O8Sn
799.7
800.424922
null
105
857
0
0
8
36
49
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
0
INDIUM TIN OXIDE
050926-11-9
57,350,325
null
O=[Sn].[In]
InChI=1S/In.O.Sn
AMGQUBHHOARCQH-UHFFFAOYSA-N
InOSn
249.53
250.800996
null
17.1
2
0
0
1
0
3
null
Sublimes at 982 °C
0
0
0
0
0
1
0
1
0
0
0
0
0
0
0
0
1
0
1
1
DI(2-ETHYLHEXYL) MALEATE
000142-16-5
5,365,125
bis(2-ethylhexyl) (Z)-but-2-enedioate
CCCCC(CC)COC(=O)/C=C\C(=O)OCC(CC)CCCC
InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13-
ROPXFXOUUANXRR-YPKPFQOOSA-N
C20H36O4
340.5
340.26136
6.5
52.6
329
0
0
4
16
24
185 °C CC
164 °C @ 10 MM HG
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
0
TRIOCTYLAMINE
001116-76-3
14,227
N,N-dioctyloctan-1-amine
CCCCCCCCN(CCCCCCCC)CCCCCCCC
InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
XTAZYLNFDRKIHJ-UHFFFAOYSA-N
C24H51N
353.7
353.402151
10.5
3.2
188
0
0
1
21
25
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
1
0
0
1
0
1
1
PENTADECAFLUOROOCTANOIC ACID, SILVER(1+) SALT
000335-93-3
71,079
silver 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Ag+]
InChI=1S/C8HF15O2.Ag/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1
HXWHIGAHMKKVBV-UHFFFAOYSA-M
C8AgF15O2
520.93
519.87097
null
40.1
525
0
0
17
5
26
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
UNDECENAL
001337-83-3
5,283,356
(E)-undec-2-enal
CCCCCCCC/C=C/C=O
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+
PANBRUWVURLWGY-MDZDMXLPSA-N
C11H20O
168.28
168.151415
4.2
17.1
116
0
0
1
8
12
null
115.00 °C. @ 10.00 mm Hg
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
SODIUM STEARATE
000822-16-2
2,724,691
sodium octadecanoate
CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]
InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
RYYKJJJTJZKILX-UHFFFAOYSA-M
C18H35NaO2
306.5
306.253475
null
40.1
207
0
0
2
16
21
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
1,1,1,2,3,4,4,5,5,5-DECAFLUOROPENTANE
138495-42-8
86,240
1,1,1,2,2,3,4,5,5,5-decafluoropentane
C(C(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F
InChI=1S/C5H2F10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H
RIQRGMUSBYGDBL-UHFFFAOYSA-N
C5H2F10
252.05
251.999682
3.9
0
211
0
0
10
2
15
>125.00 °C /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/
55 °C
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
2-ETHYL-1-HEXANOL
000104-76-7
7,720
2-ethylhexan-1-ol
CCCCC(CC)CO
InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
YIWUKEYIRIRTPP-UHFFFAOYSA-N
C8H18O
130.23
130.135765
3.1
20.2
52
0
1
1
5
9
178 °F (NTP, 1992)
363 to 365 °F at 760 mmHg (NTP, 1992)
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ACETIC ACID, ZIRCONIUM(4+) SALT
004229-34-9
24,237
zirconium(4+) tetraacetate
CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Zr+4]
InChI=1S/4C2H4O2.Zr/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4
MFFVROSEPLMJAP-UHFFFAOYSA-J
C8H12O8Zr
327.4
325.957916
null
161
25
0
0
8
0
17
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PERFLUOROOCTYL IODIDE
000507-63-1
10,491
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane
C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
KWXGJTSJUKTDQU-UHFFFAOYSA-N
C8F17I
545.96
545.87733
6.8
0
527
0
0
17
6
26
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
1-HEXANESULFONAMIDE, 1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUORO-N-METHYL-
068259-15-4
109,952
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methylhexane-1-sulfonamide
CNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C7H4F13NO2S/c1-21-24(22,23)7(19,20)5(14,15)3(10,11)2(8,9)4(12,13)6(16,17)18/h21H,1H3
HPPDPHZGXWMRHN-UHFFFAOYSA-N
C7H4F13NO2S
413.16
412.975516
3.9
54.6
572
0
1
16
6
24
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
DIYTTRIUM TRIOXIDE
001314-36-9
159,374
tris(oxygen(2-));bis(yttrium(3+))
[O-2].[O-2].[O-2].[Y+3].[Y+3]
InChI=1S/3O.2Y/q3*-2;2*+3
RUDFQVOCFDJEEF-UHFFFAOYSA-N
O3Y2
225.81
225.79642
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
1
0
0
1
CHORIONIC GONADOTROPIN
009002-61-3
4,369,448
(2S)-2-amino-6-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid
C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O
InChI=1S/C11H19N3O6S/c12-6(11(19)20)2-1-3-8(15)14-7(5-21)10(18)13-4-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
XFOOPZIJVVDYHI-BQBZGAKWSA-N
C11H19N3O6S
321.35
321.099457
-4.1
160
403
0
6
8
10
21
null
null
0
0
1
0
0
0
0
0
0
0
0
0
0
1
1
0
0
1
1
0
CHROMIUM(6+) DIBORIDE
012007-16-8
6,336,856
null
[B].[B].[Cr]
InChI=1S/2B.Cr
UHPOHYZTPBGPKO-UHFFFAOYSA-N
B2Cr
73.62
73.959115
null
0
0
0
0
0
0
3
null
null
1
0
0
0
0
1
1
1
0
0
0
0
0
0
0
0
0
1
0
0
NEODYMIUM IODIDE
013813-24-6
83,745
triiodoneodymium
I[Nd](I)I
InChI=1S/3HI.Nd/h3*1H;/q;;;+3/p-3
DKSXWSAKLYQPQE-UHFFFAOYSA-K
I3Nd
524.96
522.6211
null
0
8
0
0
0
0
4
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
1
1
0
0
1
0
0