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
PERCHLORIC ACID, NICKEL(2+) SALT
013637-71-3
26,158
nickel(2+) diperchlorate
[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ni+2]
InChI=1S/2ClHO4.Ni/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2
ZLQBNKOPBDZKDP-UHFFFAOYSA-L
Cl2NiO8
257.59
255.832364
null
149
95
0
0
8
0
11
null
null
1
0
0
0
0
1
1
0
0
0
1
0
0
1
1
0
1
1
1
0
HYDRIODIC ACID (SOLUTIONS ONLY)
010034-85-2
24,841
iodane
I
InChI=1S/HI/h1H
XMBWDFGMSWQBCA-UHFFFAOYSA-N
HI
127.9124
127.9123
0.9
0
0
0
1
0
0
1
null
-35.1 °C at 760 mm Hg
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
BORON TRIFLUORIDE
007637-07-2
6,356
trifluoroborane
B(F)(F)F
InChI=1S/BF3/c2-1(3)4
WTEOIRVLGSZEPR-UHFFFAOYSA-N
BF3
67.81
68.004515
null
0
8
0
0
3
0
4
null
-148 °F at 760 mmHg (NIOSH, 2024)
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
HYDROGEN BROMIDE, ANHYDROUS
010035-10-6
260
bromane
Br
InChI=1S/BrH/h1H
CPELXLSAUQHCOX-UHFFFAOYSA-N
BrH
80.91
79.92616
1
0
0
0
1
0
0
1
null
-88.2 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
PHOSGENE
000075-44-5
6,371
carbonyl dichloride
C(=O)(Cl)Cl
InChI=1S/CCl2O/c2-1(3)4
YGYAWVDWMABLBF-UHFFFAOYSA-N
CCl2O
98.91
97.93262
1.8
17.1
29
0
0
1
0
4
null
47 °F at 760 mmHg (EPA, 1998)
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
STANNIC CHLORIDE
007646-78-8
24,287
tetrachlorostannane
Cl[Sn](Cl)(Cl)Cl
InChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4
HPGGPRDJHPYFRM-UHFFFAOYSA-J
Cl4Sn
260.5
261.774663
null
0
19
0
0
0
0
5
null
114.15 °C
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
BROMINE
007726-95-6
24,408
molecular bromine
BrBr
InChI=1S/Br2/c1-2
GDTBXPJZTBHREO-UHFFFAOYSA-N
Br2
159.81
159.83463
1.9
0
0
0
0
0
0
2
null
139.2 °F at 760 mmHg (EPA, 1998)
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
FLUOBORIC ACID
016872-11-0
28,118
hydron tetrafluoroborate
[H+].[B-](F)(F)(F)F
InChI=1S/BF4/c2-1(3,4)5/q-1/p+1
ODGCEQLVLXJUCC-UHFFFAOYSA-O
BF4H
87.82
88.010743
null
0
19
0
1
5
0
5
null
130 °C decomposes
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TRIFLUOROACETIC ACID
000076-05-1
6,422
2,2,2-trifluoroacetic acid
C(=O)(C(F)(F)F)O
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
DTQVDTLACAAQTR-UHFFFAOYSA-N
C2HF3O2
114.02
113.992864
0.9
37.3
83
0
1
5
0
7
null
72.4 °C
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM HYPOCHLORITE
007681-52-9
23,665,760
sodium hypochlorite
[O-]Cl.[Na+]
InChI=1S/ClO.Na/c1-2;/q-1;+1
SUKJFIGYRHOWBL-UHFFFAOYSA-N
ClNaO
74.44
73.953537
null
23.1
4
0
0
1
0
3
null
Boiling point: 111 °C in solution
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
METHANESULFONIC ACID
000075-75-2
6,395
methanesulfonic acid
CS(=O)(=O)O
InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
AFVFQIVMOAPDHO-UHFFFAOYSA-N
CH4O3S
96.11
95.988115
-0.9
62.8
92
0
1
3
0
5
110 °C
167 °C at 10 mm Hg
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID
007664-38-2
1,004
phosphoric acid
OP(=O)(O)O
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
NBIIXXVUZAFLBC-UHFFFAOYSA-N
H3O4P
97.995
97.976896
-2.1
77.8
49
0
3
4
0
5
null
greater than 266 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM METASILICATE
006834-92-0
23,266
disodium;dioxido(oxo)silane
[O-][Si](=O)[O-].[Na+].[Na+]
InChI=1S/2Na.O3Si/c;;1-4(2)3/q2*+1;-2
NTHWMYGWWRZVTN-UHFFFAOYSA-N
Na2O3Si
122.063
121.941209
null
63.2
18
0
0
3
0
6
null
BOILING POINT: 100 °C -6H20 /NONAHYDRATE/
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
HEXAFLUOROSILICATE(2-), DIHYDROGEN
016961-83-4
21,863,527
hexafluorosilicon(2-);hydron
[H+].[H+].F[Si-2](F)(F)(F)(F)F
InChI=1S/F6Si/c1-7(2,3,4,5)6/q-2/p+2
OHORFAFFMDIQRR-UHFFFAOYSA-P
F6H2Si
144.091
143.982996
null
0
62
0
2
7
0
7
null
212 °F at 760 mmHg (water) approx. (USCG, 1999)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
HYDROXYETHYLENEDIAMINE
000111-41-1
8,112
2-(2-aminoethylamino)ethanol
C(CNCCO)N
InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2
LHIJANUOQQMGNT-UHFFFAOYSA-N
C4H12N2O
104.15
104.094963
-1.7
58.3
32
0
3
3
4
7
216 °F (NTP, 1992)
460 to 464 °F at 760 mmHg (NTP, 1992)
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
1
0
0
TITANIUM TETRACHLORIDE
007550-45-0
24,193
tetrachlorotitanium
Cl[Ti](Cl)(Cl)Cl
InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4
XJDNKRIXUMDJCW-UHFFFAOYSA-J
Cl4Ti
189.7
189.820401
null
0
19
0
0
0
0
5
null
277.5 °F at 760 mmHg (EPA, 1998)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PERFLUOROHEXANESULFONYL FLUORIDE
000423-50-7
67,918
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl fluoride
C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI=1S/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22
HSDJWNJDPDJOEV-UHFFFAOYSA-N
C6F14O2S
402.11
401.939545
4.7
42.5
551
0
0
16
5
23
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
1
0
DIAMMONIUM SULFIDE
012135-76-1
25,519
diazanium;sulfide
[NH4+].[NH4+].[S-2]
InChI=1S/2H3N.S/h2*1H3;/q;;-2/p+2
UYJXRRSPUVSSMN-UHFFFAOYSA-P
H8N2S
68.15
68.040819
null
3
0
0
2
1
0
3
72 °F (USCG, 1999)
104 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ANTIMONY PENTACHLORIDE
007647-18-9
24,294
pentachloro-lambda5-stibane
Cl[Sb](Cl)(Cl)(Cl)Cl
InChI=1S/5ClH.Sb/h5*1H;/q;;;;;+5/p-5
VMPVEPPRYRXYNP-UHFFFAOYSA-I
Cl5Sb
299
297.74512
null
0
37
0
0
0
0
6
null
347 °F at 760 mmHg (est.) (USCG, 1999)
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
HEXADECYLAMINE
000143-27-1
8,926
hexadecan-1-amine
CCCCCCCCCCCCCCCCN
InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
FJLUATLTXUNBOT-UHFFFAOYSA-N
C16H35N
241.46
241.27695
7.4
26
123
0
1
1
14
17
285 °F (NTP, 1992)
613 °F at 760 mmHg (NTP, 1992)
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
PENTAETHYLENEHEXAMINE
004067-16-7
19,990
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
C(CNCCNCCNCCNCCN)N
InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2
LSHROXHEILXKHM-UHFFFAOYSA-N
C10H28N6
232.37
232.237545
-3.4
100
108
0
6
6
13
16
greater than 200 °F (NTP, 1992)
662 to 734 °F at 760 mmHg (USCG, 1999)
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
1
0
0
TRIHEXYLTETRADECYLPHOSPHONIUM BIS(2,4,4-TRIMETHYLPENTYL)PHOSPHINATE
465527-59-7
16,211,839
bis(2,4,4-trimethylpentyl)phosphinate;trihexyl(tetradecyl)phosphanium
CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.CC(CC(C)(C)C)CP(=O)(CC(C)CC(C)(C)C)[O-]
InChI=1S/C32H68P.C16H35O2P/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;1-13(9-15(3,4)5)11-19(17,18)12-14(2)10-16(6,7)8/h5-32H2,1-4H3;13-14H,9-12H2,1-8H3,(H,17,18)/q+1;/p-1
ZKQLVOZSJHOZBL-UHFFFAOYSA-M
C48H102O2P2
773.3
772.735507
null
40.1
593
0
0
2
36
52
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
1-HEXADECANAMINIUM, N-ETHYL-N,N-DIMETHYL-, ETHYL SULFATE
003006-10-8
68,650
ethyl-hexadecyl-dimethylazanium;ethyl sulfate
CCCCCCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]
InChI=1S/C20H44N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-2-6-7(3,4)5/h5-20H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
UUHBNESUDPIHCI-UHFFFAOYSA-M
C22H49NO4S
423.7
423.33823
null
74.8
302
0
0
4
17
28
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
AMMONIUM SULFITE
010196-04-0
25,041
diazanium;sulfite
[NH4+].[NH4+].[O-]S(=O)[O-]
InChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3)
PQUCIEFHOVEZAU-UHFFFAOYSA-N
H8N2O3S
116.14
116.025563
null
84.4
18
0
2
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
N-BUTYRIC ACID
000107-92-6
264
butanoic acid
CCCC(=O)O
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
FERIUCNNQQJTOY-UHFFFAOYSA-N
C4H8O2
88.11
88.052429
0.8
37.3
49
0
1
2
2
6
170 °F (NTP, 1992)
326.3 °F at 760 mmHg (NTP, 1992)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORODITHIOIC ACID, O,O-BIS(2-ETHYLHEXYL) ESTER
005810-88-8
22,062
bis(2-ethylhexoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
CCCCC(CC)COP(=S)(OCC(CC)CCCC)S
InChI=1S/C16H35O2PS2/c1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,20,21)
DQNJHGSFNUDORY-UHFFFAOYSA-N
C16H35O2PS2
354.6
354.18161
7.9
51.6
263
0
1
4
14
21
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
CHLOROSULFONIC ACID
007790-94-5
24,638
sulfurochloridic acid
OS(=O)(=O)Cl
InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4)
XTHPWXDJESJLNJ-UHFFFAOYSA-N
ClHO3S
116.53
115.933493
-0.1
62.8
92
0
1
3
0
5
null
311 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
1-AMINO-2-PROPANOL
000078-96-6
4
1-aminopropan-2-ol
CC(CN)O
InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
HXKKHQJGJAFBHI-UHFFFAOYSA-N
C3H9NO
75.11
75.068414
-1
46.3
22
0
2
2
1
5
171 °F (NTP, 1992)
313 to 316 °F at 758 mmHg (NTP, 1992)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CALCIUM HYDROXIDE
001305-62-0
6,093,208
calcium dihydroxide
[OH-].[OH-].[Ca+2]
InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2
AXCZMVOFGPJBDE-UHFFFAOYSA-L
CaH2O2
74.09
73.96807
null
2
0
0
2
2
0
3
/Calcium Hydroxide is/ non flammable
Decomposes (NIOSH, 2024)
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
GALLIUM(III) SULFIDE
012024-22-5
165,983
digallium;trisulfide
[S-2].[S-2].[S-2].[Ga+3].[Ga+3]
InChI=1S/2Ga.3S/q2*+3;3*-2
BVSHTEBQPBBCFT-UHFFFAOYSA-N
Ga2S3
235.6
235.76649
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
0
TRIETHYLAMINE HYDROCHLORIDE
000554-68-7
11,130
N,N-diethylethanamine;hydrochloride
CCN(CC)CC.Cl
InChI=1S/C6H15N.ClH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
ILWRPSCZWQJDMK-UHFFFAOYSA-N
C6H16ClN
137.65
137.097127
null
3.2
25
0
1
1
3
8
null
245 °C (sublimes)
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
CALCIUM TRIFLUOROMETHANE SULFONATE
055120-75-7
2,734,307
calcium bis(trifluoromethanesulfonate)
C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ca+2]
InChI=1S/2CHF3O3S.Ca/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
PUQLFUHLKNBKQQ-UHFFFAOYSA-L
C2CaF6O6S2
338.2
337.86664
null
131
145
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
0
YTTERBIUM (III) TRIFLUOROMETHANESULFONATE
054761-04-5
2,733,225
tris(trifluoromethanesulfonate);ytterbium(3+)
C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Yb+3]
InChI=1S/3CHF3O3S.Yb/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
AHZJKOKFZJYCLG-UHFFFAOYSA-K
C3F9O9S3Yb
620.3
620.794941
null
197
145
0
0
18
0
25
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-BUTENOIC ACID, 4-BROMO-, METHYL ESTER
001117-71-1
5,369,175
methyl (E)-4-bromobut-2-enoate
COC(=O)/C=C/CBr
InChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+
RWIKCBHOVNDESJ-NSCUHMNNSA-N
C5H7BrO2
179.01
177.96294
1.1
26.3
98
0
0
2
3
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-BUTENOIC ACID, 4-(ETHYLAMINO)-4-OXO-, (Z)-
004166-67-0
5,380,356
(Z)-4-(ethylamino)-4-oxobut-2-enoic acid
CCNC(=O)/C=C\C(=O)O
InChI=1S/C6H9NO3/c1-2-7-5(8)3-4-6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)/b4-3-
HBQGCOWNLUOCBU-ARJAWSKDSA-N
C6H9NO3
143.14
143.058243
-0.3
66.4
162
0
2
3
3
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PROPANOIC ACID, 3-(ACETYLTHIO)-2-METHYL-
033325-40-5
118,073
3-acetylsulfanyl-2-methylpropanoic acid
CC(CSC(=O)C)C(=O)O
InChI=1S/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)
VFVHNRJEYQGRGE-UHFFFAOYSA-N
C6H10O3S
162.21
162.035065
0.7
79.7
144
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
PHOSPHORIC ACID, MONO(2-METHYLPROPYL) ESTER, DIPOTASSIUM SALT
068541-10-6
110,525
dipotassium;2-methylpropyl phosphate
CC(C)COP(=O)([O-])[O-].[K+].[K+]
InChI=1S/C4H11O4P.2K/c1-4(2)3-8-9(5,6)7;;/h4H,3H2,1-2H3,(H2,5,6,7);;/q;2*+1/p-2
QQVPGMKUULHCHN-UHFFFAOYSA-L
C4H9K2O4P
230.28
229.951259
null
72.4
104
0
0
4
2
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
BROMOCHLOROMETHANE
000074-97-5
6,333
bromo(chloro)methane
C(Cl)Br
InChI=1S/CH2BrCl/c2-1-3/h1H2
JPOXNPPZZKNXOV-UHFFFAOYSA-N
CH2BrCl
129.38
127.90284
1.7
0
4
0
0
0
0
3
No flash or fire points by standard tests in air.
154 °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
HEPTAFLUOROBUTYRIC ANHYDRIDE
000336-59-4
67,643
2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate
C(=O)(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI=1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22
UFFSXJKVKBQEHC-UHFFFAOYSA-N
C8F14O3
410.06
409.962388
4.8
43.4
493
0
0
17
6
25
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PERFLUOROPENTANOIC ACID
002706-90-3
75,921
2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
CXZGQIAOTKWCDB-UHFFFAOYSA-N
C5HF9O2
264.05
263.983283
2.9
37.3
291
0
1
11
3
16
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
N,N-BUTYLDIETHANOLAMINE
000102-79-4
7,620
2-[butyl(2-hydroxyethyl)amino]ethanol
CCCCN(CCO)CCO
InChI=1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3
GVNHOISKXMSMPX-UHFFFAOYSA-N
C8H19NO2
161.24
161.141579
0.1
43.7
72
0
2
3
7
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
NONAFLUOROBUTANESULFONYL FLUORIDE
000375-72-4
67,814
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride
C(C(C(F)(F)S(=O)(=O)F)(F)F)(C(F)(F)F)(F)F
InChI=1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16
LUYQYZLEHLTPBH-UHFFFAOYSA-N
C4F10O2S
302.09
301.945932
3.4
42.5
386
0
0
12
3
17
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
BUTYL ACID PHOSPHATE
052933-01-4
15,389
butyl dihydrogen phosphate
CCCCOP(=O)(O)O
InChI=1S/C4H11O4P/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
BNMJSBUIDQYHIN-UHFFFAOYSA-N
C4H11O4P
154.1
154.039496
-0.3
66.8
107
0
2
4
4
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PROPANOIC ACID, AMMONIUM SALT
017496-08-1
87,139
azane;propanoic acid
CCC(=O)O.N
InChI=1S/C3H6O2.H3N/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H3
XJMWHXZUIGHOBA-UHFFFAOYSA-N
C3H9NO2
91.11
91.063329
null
38.3
40
0
2
3
1
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TELLURIUM CHLORIDE
010026-07-0
61,443
null
Cl[Te](Cl)(Cl)Cl
InChI=1S/Cl4Te/c1-5(2,3)4
SWLJJEFSPJCUBD-UHFFFAOYSA-N
Cl4Te
269.4
271.778683
null
0
19
0
0
0
0
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
AMMONIUM HYDROXIDE Solutions (>/=10-<70%)
001336-21-6
14,923
azanium hydroxide
[NH4+].[OH-]
InChI=1S/H3N.H2O/h1H3;1H2
VHUUQVKOLVNVRT-UHFFFAOYSA-N
H5NO
35.046
35.037114
null
2
0
0
2
1
0
2
null
38 °C (25%)
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SILVER CARBONATE
000534-16-7
92,796
disilver;carbonate
C(=O)([O-])[O-].[Ag+].[Ag+]
InChI=1S/CH2O3.2Ag/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
KQTXIZHBFFWWFW-UHFFFAOYSA-L
CAg2O3
275.745
275.79459
null
63.2
18
0
0
3
0
6
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
POTASSIUM PHOSPHATE, DIBASIC
007758-11-4
24,450
dipotassium;hydrogen phosphate
OP(=O)([O-])[O-].[K+].[K+]
InChI=1S/2K.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2
ZPWVASYFFYYZEW-UHFFFAOYSA-L
HK2O4P
174.176
173.888659
null
83.4
46
0
1
4
0
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM IODIDE
007681-82-5
5,238
sodium iodide
[Na+].[I-]
InChI=1S/HI.Na/h1H;/q;+1/p-1
FVAUCKIRQBBSSJ-UHFFFAOYSA-M
INa
149.8942
149.89424
null
0
2
0
0
1
0
2
null
Decomposes
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
1
LAURIC ACID
000143-07-7
3,893
dodecanoic acid
CCCCCCCCCCCC(=O)O
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
POULHZVOKOAJMA-UHFFFAOYSA-N
C12H24O2
200.32
200.17763
4.2
37.3
132
0
1
2
10
14
235 °F (NTP, 1992)
437 °F at 100 mmHg (NTP, 1992)
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TRI-N-OCTYLPHOSPHINE OXIDE
000078-50-2
65,577
1-dioctylphosphoryloctane
CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC
InChI=1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
ZMBHCYHQLYEYDV-UHFFFAOYSA-N
C24H51OP
386.6
386.367753
9.6
17.1
266
0
0
1
21
26
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
2-METHYLLACTIC ACID
000594-61-6
11,671
2-hydroxy-2-methylpropanoic acid
CC(C)(C(=O)O)O
InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
BWLBGMIXKSTLSX-UHFFFAOYSA-N
C4H8O3
104.1
104.047344
-0.4
57.5
84
0
2
3
1
7
null
212.00 °C. @ 760.00 mm Hg
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
MESO-TARTARIC ACID
000147-73-9
447,315
(2R,3S)-2,3-dihydroxybutanedioic acid
[C@@H]([C@@H](C(=O)O)O)(C(=O)O)O
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+
FEWJPZIEWOKRBE-XIXRPRMCSA-N
C4H6O6
150.09
150.016438
-1.9
115
134
0
4
6
3
10
210 °C c.c.
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
LACTIC ACID, MONOSODIUM SALT
000312-85-6
23,666,456
sodium 2-hydroxypropanoate
CC(C(=O)[O-])O.[Na+]
InChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1
NGSFWBMYFKHRBD-UHFFFAOYSA-M
C3H5NaO3
112.06
112.013638
null
60.4
63
0
1
3
1
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
N-LAUROYLSARCOSINE SODIUM
000137-16-6
23,668,817
sodium 2-[dodecanoyl(methyl)amino]acetate
CCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
InChI=1S/C15H29NO3.Na/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);/q;+1/p-1
KSAVQLQVUXSOCR-UHFFFAOYSA-M
C15H28NNaO3
293.38
293.196688
null
60.4
260
0
0
3
12
20
null
null
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
MERCURY(I) OXIDE
015829-53-5
16,683,011
mercuriooxymercury
O([Hg])[Hg]
InChI=1S/2Hg.O
RPZHFKHTXCZXQV-UHFFFAOYSA-N
Hg2O
417.18
417.933885
null
9.2
2
0
0
1
0
3
null
null
0
0
0
0
0
0
0
1
0
0
1
0
0
1
0
0
1
1
1
1
NEODYMIUM CHLORIDE
010024-93-8
66,204
trichloroneodymium
Cl[Nd](Cl)Cl
InChI=1S/3ClH.Nd/h3*1H;/q;;;+3/p-3
ATINCSYRHURBSP-UHFFFAOYSA-K
Cl3Nd
250.6
246.81429
null
0
8
0
0
0
0
4
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
DIETHYL PHOSPHITE
000762-04-9
6,327,654
diethoxy(oxo)phosphanium
CCO[P+](=O)OCC
InChI=1S/C4H10O3P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3/q+1
LXCYSACZTOKNNS-UHFFFAOYSA-N
C4H10O3P+
137.09
137.036756
0.7
35.5
65
1
0
3
4
8
null
138 °C
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
EUROPIUM CHLORIDE
010025-76-0
24,809
trichloroeuropium
Cl[Eu](Cl)Cl
InChI=1S/3ClH.Eu/h3*1H;/q;;;+3/p-3
NNMXSTWQJRPBJZ-UHFFFAOYSA-K
Cl3Eu
258.32
257.82779
null
0
8
0
0
0
0
4
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
BIS-TRIS
006976-37-0
81,462
2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
C(CO)N(CCO)C(CO)(CO)CO
InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
OWMVSZAMULFTJU-UHFFFAOYSA-N
C8H19NO5
209.24
209.126323
-3.3
104
125
0
5
6
8
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
NEROL
000106-25-2
643,820
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
CC(=CCC/C(=C\CO)/C)C
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
GLZPCOQZEFWAFX-YFHOEESVSA-N
C10H18O
154.25
154.135765
2.9
20.2
150
0
1
1
4
11
Flash Point: 107.78 °C /226 °F (closed cup)
225 °C
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
CALCIUM MAGNESIUM HYDROXIDE OXIDE
058398-71-3
13,710,582
calcium;magnesium;oxygen(2-);dihydroxide
[OH-].[OH-].[O-2].[Mg+2].[Ca+2]
InChI=1S/Ca.Mg.2H2O.O/h;;2*1H2;/q2*+2;;;-2/p-2
UEURCQNQTWXPEE-UHFFFAOYSA-L
CaH2MgO3
114.4
113.948027
null
3
0
0
2
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
N-METHYLOCTADECYLAMINE
002439-55-6
75,539
N-methyloctadecan-1-amine
CCCCCCCCCCCCCCCCCCNC
InChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h20H,3-19H2,1-2H3
SZEGKVHRCLBFKJ-UHFFFAOYSA-N
C19H41N
283.5
283.3239
8.6
12
156
0
1
1
17
20
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
PERFLUORO-TERT-BUTANOL
002378-02-1
16,924
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol
C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O
InChI=1S/C4HF9O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H
XZNOAVNRSFURIR-UHFFFAOYSA-N
C4HF9O
236.04
235.988368
2.8
20.2
170
0
1
10
0
14
null
null
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2,5-DIMETHYL-2,5-HEXANEDIOL
000110-03-2
8,031
2,5-dimethylhexane-2,5-diol
CC(C)(CCC(C)(C)O)O
InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3
ZWNMRZQYWRLGMM-UHFFFAOYSA-N
C8H18O2
146.23
146.13068
0.8
40.5
91
0
2
2
3
10
null
118 °C @ 15 MM HG
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
N-ETHYLDIETHANOLAMINE
000139-87-7
8,769
2-[ethyl(2-hydroxyethyl)amino]ethanol
CCN(CCO)CCO
InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3
AKNUHUCEWALCOI-UHFFFAOYSA-N
C6H15NO2
133.19
133.110279
0.1
43.7
53
0
2
3
5
9
208 °F (138 °C) (Open cup)
247 degc C
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-AMINO-2-METHYL-1,3-PROPANEDIOL
000115-69-5
1,531
2-amino-2-methylpropane-1,3-diol
CC(CO)(CO)N
InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
UXFQFBNBSPQBJW-UHFFFAOYSA-N
C4H11NO2
105.14
105.078979
-1.8
66.5
51
0
3
3
2
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
N,N-DIMETHYLAMINOPROPYL METHACRYLAMIDE
005205-93-6
78,882
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide
CC(=C)C(=O)NCCCN(C)C
InChI=1S/C9H18N2O/c1-8(2)9(12)10-6-5-7-11(3)4/h1,5-7H2,2-4H3,(H,10,12)
GDFCSMCGLZFNFY-UHFFFAOYSA-N
C9H18N2O
170.25
170.141913
0.9
32.3
164
0
1
2
5
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
AMMONIUM HEXACHLORORHODATE(III)
015336-18-2
16,211,509
triazanium;hexachlororhodium(3-)
[NH4+].[NH4+].[NH4+].Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl
InChI=1S/6ClH.3H3N.Rh/h6*1H;3*1H3;/q;;;;;;;;;+3/p-3
OJNYBYILSUWBHM-UHFFFAOYSA-K
Cl6H12N3Rh
369.7
368.81878
null
3
62
0
3
1
0
10
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
HEMATITE
001317-60-8
14,833
bis(iron(3+));tris(oxygen(2-))
[O-2].[O-2].[O-2].[Fe+3].[Fe+3]
InChI=1S/2Fe.3O/q2*+3;3*-2
LIKBJVNGSGBSGK-UHFFFAOYSA-N
Fe2O3
159.69
159.854615
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
0
SODIUM HEXABROMOPLATINATE
039277-13-9
20,474,473
disodium;hexabromoplatinum(2-)
[Na+].[Na+].Br[Pt-2](Br)(Br)(Br)(Br)Br
InChI=1S/6BrH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6
RFZKZIKSQSDBBI-UHFFFAOYSA-H
Br6Na2Pt
720.5
720.44821
null
0
62
0
0
1
0
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
1
1
0
1
GADOLINIUM IODIDE
013572-98-0
83,588
triiodogadolinium
I[Gd](I)I
InChI=1S/Gd.3HI/h;3*1H/q+3;;;/p-3
IZZTUGMCLUGNPM-UHFFFAOYSA-K
GdI3
537.96
538.6375
null
0
8
0
0
0
0
4
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
1
0
1
DICETYL PHOSPHATE
002197-63-9
75,143
dihexadecyl hydrogen phosphate
CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC
InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)
RNPXCFINMKSQPQ-UHFFFAOYSA-N
C32H67O4P
546.8
546.477698
14.5
55.8
434
0
1
4
32
37
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
1,2,3,4-TETRABROMOBUTANE
001529-68-6
15,221
1,2,3,4-tetrabromobutane
C(C(C(CBr)Br)Br)Br
InChI=1S/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2
HGRZLIGHKHRTRE-UHFFFAOYSA-N
C4H6Br4
373.71
373.7162
3.4
0
48
0
0
0
3
8
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
OLEIC ACID MONOISO-PROPANOLAMIDE
000111-05-7
6,436,066
(Z)-N-(2-hydroxypropyl)octadec-9-enamide
CCCCCCCC/C=C\CCCCCCCC(=O)NCC(C)O
InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)/b11-10-
UDZAXLGLNUMCRX-KHPPLWFESA-N
C21H41NO2
339.6
339.31373
6.8
49.3
302
0
2
2
17
24
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
MYRISTIC ACID DIETHANOLAMIDE
000120-40-1
8,430
N,N-bis(2-hydroxyethyl)dodecanamide
CCCCCCCCCCCC(=O)N(CCO)CCO
InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3
AOMUHOFOVNGZAN-UHFFFAOYSA-N
C16H33NO3
287.44
287.246044
3.5
60.8
216
0
2
3
14
20
null
462 to 471 °F at 760 mmHg (NTP, 1992)
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM DI(2-ETHYLHEXYL)PHOSPHATE
000141-65-1
23,683,737
sodium bis(2-ethylhexyl) phosphate
CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.[Na+]
InChI=1S/C16H35O4P.Na/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);/q;+1/p-1
AOBMIXQSBXYCFW-UHFFFAOYSA-M
C16H34NaO4P
344.4
344.209241
null
58.6
265
0
0
4
14
22
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM DI-TRIDECYL SULFOSUCCINATE
002673-22-5
23,669,618
sodium 1,4-dioxo-1,4-di(tridecoxy)butane-2-sulfonate
CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)S(=O)(=O)[O-].[Na+]
InChI=1S/C30H58O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-29(31)27-28(38(33,34)35)30(32)37-26-24-22-20-18-16-14-12-10-8-6-4-2;/h28H,3-27H2,1-2H3,(H,33,34,35);/q;+1/p-1
YWQIGRBJQMNGSN-UHFFFAOYSA-M
C30H57NaO7S
584.8
584.37227
null
118
665
0
0
7
30
39
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
DIAMYL SODIUM SULFOSUCCINATE
000922-80-5
23,669,004
sodium 1,4-dioxo-1,4-dipentoxybutane-2-sulfonate
CCCCCOC(=O)CC(C(=O)OCCCCC)S(=O)(=O)[O-].[Na+]
InChI=1S/C14H26O7S.Na/c1-3-5-7-9-20-13(15)11-12(22(17,18)19)14(16)21-10-8-6-4-2;/h12H,3-11H2,1-2H3,(H,17,18,19);/q;+1/p-1
UMEWSJNRBXKWKZ-UHFFFAOYSA-M
C14H25NaO7S
360.4
360.121869
null
118
431
0
0
7
14
23
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
DIISOBUTYL SODIUM SULFOSUCCINATE
000127-39-9
23,683,016
sodium 1,4-bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonate
CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-].[Na+]
InChI=1S/C12H22O7S.Na/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4;/h8-10H,5-7H2,1-4H3,(H,15,16,17);/q;+1/p-1
NTWXWSVUSTYPJH-UHFFFAOYSA-M
C12H21NaO7S
332.35
332.090569
null
118
425
0
0
7
10
21
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TRIETHANOLAMMONIUM LAURYL SULFATE
000139-96-8
8,777
2-[bis(2-hydroxyethyl)amino]ethanol;dodecyl hydrogen sulfate
CCCCCCCCCCCCOS(=O)(=O)O.C(CO)N(CCO)CCO
InChI=1S/C12H26O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;8-4-1-7(2-5-9)3-6-10/h2-12H2,1H3,(H,13,14,15);8-10H,1-6H2
JZKFHQMONDVVNF-UHFFFAOYSA-N
C18H41NO7S
415.6
415.260374
null
136
299
0
4
8
18
27
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM OLEYL SULFATE
001847-55-8
23,686,132
sodium [(Z)-octadec-9-enyl] sulfate
CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)[O-].[Na+]
InChI=1S/C18H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);/q;+1/p-1/b10-9-;
MWZFQMUXPSUDJQ-KVVVOXFISA-M
C18H35NaO4S
370.5
370.215375
null
74.8
364
0
0
4
17
24
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM LAURATE
000629-25-4
2,735,067
sodium dodecanoate
CCCCCCCCCCCC(=O)[O-].[Na+]
InChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1
BTURAGWYSMTVOW-UHFFFAOYSA-M
C12H23NaO2
222.3
222.159574
null
40.1
138
0
0
2
10
15
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
OCTAETHYLENE GLYCOL MONODODECYL ETHER
003055-98-9
123,921
2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
YYELLDKEOUKVIQ-UHFFFAOYSA-N
C28H58O9
538.8
538.408083
4.1
94.1
389
0
1
9
34
37
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
BIS(TRIMETHOXYSILYLPROPYL)ETHYLENEDIAMINE
068845-16-9
111,651
N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine
CO[Si](CCCNCCNCCC[Si](OC)(OC)OC)(OC)OC
InChI=1S/C14H36N2O6Si2/c1-17-23(18-2,19-3)13-7-9-15-11-12-16-10-8-14-24(20-4,21-5)22-6/h15-16H,7-14H2,1-6H3
HZGIOLNCNORPKR-UHFFFAOYSA-N
C14H36N2O6Si2
384.62
384.21119
null
79.4
250
0
2
8
17
24
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
HAFNIUM FLUORIDE
013709-52-9
4,092,293
tetrafluorohafnium
F[Hf](F)(F)F
InChI=1S/4FH.Hf/h4*1H;/q;;;;+4/p-4
QHEDSQMUHIMDOL-UHFFFAOYSA-J
F4Hf
254.48
255.94017
null
0
19
0
0
4
0
5
null
null
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ZINC IRON OXIDE
012063-19-3
11,831,558
hydroxy(oxo)iron;zinc
O[Fe]=O.O[Fe]=O.[Zn]
InChI=1S/2Fe.2H2O.2O.Zn/h;;2*1H2;;;/q2*+1;;;;;/p-2
NNGHIEIYUJKFQS-UHFFFAOYSA-L
Fe2H2O4Zn
243.1
241.794321
null
74.6
30
0
2
4
0
7
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
1
1-(3-(TRIMETHOXYSILYL)PROPYL)UREA
023843-64-3
90,280
3-trimethoxysilylpropylurea
CO[Si](CCCNC(=O)N)(OC)OC
InChI=1S/C7H18N2O4Si/c1-11-14(12-2,13-3)6-4-5-9-7(8)10/h4-6H2,1-3H3,(H3,8,9,10)
LVACOMKKELLCHJ-UHFFFAOYSA-N
C7H18N2O4Si
222.31
222.103584
null
82.8
167
0
2
4
7
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
3,3'-IMINODIPROPIONITRILE
000111-94-4
8,149
3-(2-cyanoethylamino)propanenitrile
C(CNCCC#N)C#N
InChI=1S/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2
SBAJRGRUGUQKAF-UHFFFAOYSA-N
C6H9N3
123.16
123.079647
-0.8
59.6
126
0
1
3
4
9
230 °F (NTP, 1992)
343 °F at 10 mmHg (NTP, 1992)
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TRIDODECYLAMINE
000102-87-4
7,624
N,N-didodecyldodecan-1-amine
CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
SWZDQOUHBYYPJD-UHFFFAOYSA-N
C36H75N
522
521.589951
17
3.2
322
0
0
1
33
37
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
1
0
0
1
0
1
1
DL-TARTARIC ACID
000133-37-9
875
2,3-dihydroxybutanedioic acid
C(C(C(=O)O)O)(C(=O)O)O
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
FEWJPZIEWOKRBE-UHFFFAOYSA-N
C4H6O6
150.09
150.016438
-1.9
115
134
0
4
6
3
10
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2,3-DIMERCAPTO-1-PROPANESULFONIC ACID SODIUM SALT MONOHYDRATE
207233-91-8
23,676,755
sodium;2,3-bis(sulfanyl)propane-1-sulfonate;hydrate
C(C(CS(=O)(=O)[O-])S)S.O.[Na+]
InChI=1S/C3H8O3S3.Na.H2O/c4-9(5,6)2-3(8)1-7;;/h3,7-8H,1-2H2,(H,4,5,6);;1H2/q;+1;/p-1
XMUHNMQFDVIWGU-UHFFFAOYSA-M
C3H9NaO4S3
228.3
227.956067
null
68.6
160
0
3
6
3
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
DEFEROXAMINE MESYLATE
000138-14-7
62,881
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;methanesulfonic acid
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O.CS(=O)(=O)O
InChI=1S/C25H48N6O8.CH4O3S/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;1-5(2,3)4/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H3,(H,2,3,4)
IDDIJAWJANBQLJ-UHFFFAOYSA-N
C26H52N6O11S
656.8
656.341478
null
269
832
0
7
12
23
44
null
null
0
0
0
0
0
0
0
1
0
0
1
0
0
0
1
0
1
1
0
1
DL-B-HYDROXYNORVALINE
034042-00-7
65,097
2-amino-3-hydroxypentanoic acid
CCC(C(C(=O)O)N)O
InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)
LGVJIYCMHMKTPB-UHFFFAOYSA-N
C5H11NO3
133.15
133.073893
-2.4
83.6
104
0
3
4
3
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ZIRCONIUM 2-ETHYLHEXANOATE
022464-99-9
112,500,423
(2R)-2-ethylhexanoate;(2S)-2-ethylhexanoate;zirconium(2+)
CCCC[C@@H](CC)C(=O)[O-].CCCC[C@H](CC)C(=O)[O-].[Zr+2]
InChI=1S/2C8H16O2.Zr/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2/t2*7-;/m10./s1
RIYRDRZNXDRTIL-BGEHQDIKSA-L
C16H30O4Zr
377.63
376.119108
null
80.3
93
0
0
4
8
21
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
0
2-ALLYLOXYETHANOL
000111-45-5
8,116
2-prop-2-enoxyethanol
C=CCOCCO
InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2
GCYHRYNSUGLLMA-UHFFFAOYSA-N
C5H10O2
102.13
102.06808
-0.1
29.5
43
0
1
2
4
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
N-2-HYDROXYETHYLACETAMIDE
000142-26-7
8,880
N-(2-hydroxyethyl)acetamide
CC(=O)NCCO
InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
PVCJKHHOXFKFRP-UHFFFAOYSA-N
C4H9NO2
103.12
103.063329
-1.1
49.3
62
0
2
2
2
7
176.6 °C
166-167 °C @ 8 MM HG
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-ETHYLHEXANOIC ACID, POTASSIUM SALT
003164-85-0
23,669,619
potassium 2-ethylhexanoate
CCCCC(CC)C(=O)[O-].[K+]
InChI=1S/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
ZUFQCVZBBNZMKD-UHFFFAOYSA-M
C8H15KO2
182.3
182.070911
null
40.1
104
0
0
2
5
11
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-TRIMETHYLHYDRAZINIUM IODIDE
003288-80-0
18,683
amino(trimethyl)azanium iodide
C[N+](C)(C)N.[I-]
InChI=1S/C3H11N2.HI/c1-5(2,3)4;/h4H2,1-3H3;1H/q+1;/p-1
HLNPDVKKRBWQAA-UHFFFAOYSA-M
C3H11IN2
202.04
201.9967
null
26
26
0
1
2
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
0
0
1
2-METHYLHEXANOIC ACID
004536-23-6
20,653
2-methylhexanoic acid
CCCCC(C)C(=O)O
InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
CVKMFSAVYPAZTQ-UHFFFAOYSA-N
C7H14O2
130.18
130.09938
2.3
37.3
88
0
1
2
4
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0