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