Anonymous-07/SafeChem · Datasets at Hugging Face

OCTADECANOIC ACID, 9(OR 10)-(SULFOOXY)-, POTASSIUM SALT

068422-22-0

23,668,650

potassium 1-carboxyheptadecan-8-yl sulfate

CCCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)[O-].[K+]

InChI=1S/C18H36O6S.K/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1

UHJGFDBVGZHJQE-UHFFFAOYSA-M

C18H35KO6S

418.6

418.179142

null

112

422

0

1

6

18

26

null

0

1

0

N,N-DIMETHYL-N-OCTADECYL-1-OCTADECANAMINIUM CHLORIDE

000107-64-2

7,879

dimethyl(dioctadecyl)azanium chloride

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]

InChI=1S/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1

REZZEXDLIUJMMS-UHFFFAOYSA-M

C38H80ClN

586.5

585.597929

null

0

390

0

1

34

40

null

1

0

1

0

ETHANOL, 2-(OCTYLTHIO)-

003547-33-9

19,079

2-octylsulfanylethanol

CCCCCCCCSCCO

InChI=1S/C10H22OS/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3

KXPXKNBDCUOENF-UHFFFAOYSA-N

C10H22OS

190.35

190.139137

3.6

45.5

76

0

1

2

9

12

null

0

1

0

HEXANOIC ACID, 2-ETHYL-, MAGNESIUM SALT

015602-15-0

85,882

magnesium bis(2-ethylhexanoate)

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Mg+2]

InChI=1S/2C8H16O2.Mg/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2

CGSNFLLWLBPMLH-UHFFFAOYSA-L

C16H30MgO4

310.71

310.199451

null

80.3

93

0

4

8

21

null

0

1

0

1

0

OCTANEDIOIC ACID, 2-BUTYL-

050905-10-7

6,452,288

2-butyloctanedioic acid

CCCCC(CCCCCC(=O)O)C(=O)O

InChI=1S/C12H22O4/c1-2-3-7-10(12(15)16)8-5-4-6-9-11(13)14/h10H,2-9H2,1H3,(H,13,14)(H,15,16)

OWCLRJQYKBAMOL-UHFFFAOYSA-N

C12H22O4

230.3

230.151809

2.5

74.6

213

0

2

4

10

16

null

0

1

0

1-PROPANESULFONIC ACID, 2-HYDROXY-3-(2-PROPENYLOXY)-, MONOSODIUM SALT

052556-42-0

23,677,323

sodium 2-hydroxy-3-prop-2-enoxypropane-1-sulfonate

C=CCOCC(CS(=O)(=O)[O-])O.[Na+]

InChI=1S/C6H12O5S.Na/c1-2-3-11-4-6(7)5-12(8,9)10;/h2,6-7H,1,3-5H2,(H,8,9,10);/q;+1/p-1

CJGJYOBXQLCLRG-UHFFFAOYSA-M

C6H11NaO5S

218.21

218.022489

null

95

220

0

1

5

6

13

null

0

1

0

1

0

1-PROPANAMINE, 3-(TRIMETHOXYSILYL)-N-[3-(TRIMETHOXYSILYL)PROPYL]-

082985-35-1

157,882

3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine

CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC

InChI=1S/C12H31NO6Si2/c1-14-20(15-2,16-3)11-7-9-13-10-8-12-21(17-4,18-5)19-6/h13H,7-12H2,1-6H3

TZZGHGKTHXIOMN-UHFFFAOYSA-N

C12H31NO6Si2

341.55

341.168991

null

67.4

211

0

1

7

14

21

null

0

1

0

SODIUM CHLORIDE

007647-14-5

5,234

sodium chloride

[Na+].[Cl-]

InChI=1S/ClH.Na/h1H;/q;+1/p-1

FAPWRFPIFSIZLT-UHFFFAOYSA-M

ClNa

58.44

57.958622

null

0

2

0

1

0

2

null

1465 °C

0

1

0

STRONTIUM CHLORIDE, HEXAHYDRATE

010025-70-4

6,101,868

strontium;dichloride;hexahydrate

O.O.O.O.O.O.[Cl-].[Cl-].[Sr+2]

InChI=1S/2ClH.6H2O.Sr/h2*1H;6*1H2;/q;;;;;;;;+2/p-2

AMGRXJSJSONEEG-UHFFFAOYSA-L

Cl2H12O6Sr

266.62

265.906706

null

6

0

6

8

0

9

null

0

1

0

SODIUM BROMIDE

007647-15-6

253,881

sodium bromide

[Na+].[Br-]

InChI=1S/BrH.Na/h1H;/q;+1/p-1

JHJLBTNAGRQEKS-UHFFFAOYSA-M

BrNa

102.89

101.90811

null

0

2

0

1

0

2

null

1390 °C

0

1

0

1

0

1

DIETHYLENETRIAMINEPENTAACETIC ACID

000067-43-6

3,053

2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid

C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)

QPCDCPDFJACHGM-UHFFFAOYSA-N

C14H23N3O10

393.35

393.138344

-8.5

196

481

0

5

13

16

27

null

Decomposes

0

1

0

1

0

1

0

1

0

VANADIUM(II) OXIDE

012035-98-2

24,411

oxovanadium

O=[V]

InChI=1S/O.V

IBYSTTGVDIFUAY-UHFFFAOYSA-N

OV

66.941

66.938872

null

17.1

2

0

1

0

2

null

0

1

0

1

0

1

TETRAFLUOROBORATE(1-) ANTIMONY(3+) (3:1)

014486-20-5

167,104

antimony(3+) tritetrafluoroborate

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Sb+3]

InChI=1S/3BF4.Sb/c3*2-1(3,4)5;/q3*-1;+3

PGFNTKZOUHWLIN-UHFFFAOYSA-N

B3F12Sb

382.2

381.91256

null

0

19

0

15

0

16

null

0

1

0

1

0

1

ALUMINUM, BIS(2-ETHYLHEXANOATO-O)HYDROXY-

030745-55-2

2,734,950

aluminum;bis(2-ethylhexanoate);hydroxide

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[OH-].[Al+3]

InChI=1S/2C8H16O2.Al.H2O/c2*1-3-5-6-7(4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;1H2/q;;+3;/p-3

ITXFWNWNWXSDBB-UHFFFAOYSA-K

C16H31AlO5

330.4

330.198688

null

81.3

93

0

1

5

8

22

null

0

1

0

1

0

HEXANOIC ACID, 2-ETHYL-, MOLYBDENUM SALT

034041-09-3

169,565

2-ethylhexanoate;molybdenum

CCCCC(CC)C(=O)[O-].[Mo]

InChI=1S/C8H16O2.Mo/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/p-1

VXIWJTFRRIZCQJ-UHFFFAOYSA-M

C8H15MoO2-

239.15

241.012608

null

40.1

93

-1

0

2

4

11

null

0

1

0

1

0

MOLYBDIC ACID

007782-91-4

82,208

dihydroxy(dioxo)molybdenum

O[Mo](=O)(=O)O

InChI=1S/Mo.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2

VLAPMBHFAWRUQP-UHFFFAOYSA-L

H2MoO4

161.96

163.900712

null

74.6

81

0

2

4

0

5

null

0

1

0

1

CARBON BLACK

001333-86-4

5,462,310

methane

C

InChI=1S/C

OKTJSMMVPCPJKN-UHFFFAOYSA-N

C

12.011

12

0.6

0

1

null

Sublimes at 3642 °C; triple point (graphite-liquid-gas), 4492 °C at a pressure of 101.325 kPa

0

1

0

1

DIMETHYL MALONATE

000108-59-8

7,943

dimethyl propanedioate

COC(=O)CC(=O)OC

InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3

BEPAFCGSDWSTEL-UHFFFAOYSA-N

C5H8O4

132.11

132.042259

0

52.6

104

0

4

9

null

0

1

0

CALCIUM SILICATE

001344-95-2

73,415,800

calcium bis(trihydroxy(oxido)silane)

O[Si](O)(O)[O-].O[Si](O)(O)[O-].[Ca+2]

InChI=1S/Ca.2H3O4Si/c;2*1-5(2,3)4/h;2*1-3H/q+2;2*-1

LECAAGVQUHQAJK-UHFFFAOYSA-N

CaH6O8Si2

230.29

229.922711

null

168

25

0

6

8

0

11

null

0

1

0

1

METHYL OLEATE

000112-62-9

5,364,509

methyl (Z)-octadec-9-enoate

CCCCCCCC/C=C\CCCCCCCC(=O)OC

InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-

QYDYPVFESGNLHU-KHPPLWFESA-N

C19H36O2

296.5

296.27153

7.6

26.3

246

0

2

16

21

null

425.3 °F at 20 mmHg (NTP, 1992)

0

1

0

SODIUM PHOSPHATE, DIBASIC

007558-79-4

24,203

disodium;hydrogen phosphate

OP(=O)([O-])[O-].[Na+].[Na+]

InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2

BNIILDVGGAEEIG-UHFFFAOYSA-L

HNa2O4P

141.959

141.940784

null

83.4

46

0

1

4

0

7

null

0

1

0

DIETHYLENE GLYCOL MONOBUTYL ETHER ACETATE

000124-17-4

31,288

2-(2-butoxyethoxy)ethyl acetate

CCCCOCCOCCOC(=O)C

InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3

VXQBJTKSVGFQOL-UHFFFAOYSA-N

C10H20O4

204.26

204.136159

1.1

44.8

136

0

4

10

14

240 °F (USCG, 1999)

475 °F at 760 mmHg (USCG, 1999)

0

1

0

DL-LYSINE HYDROCHLORIDE

000070-53-1

12,047

2,6-diaminohexanoic acid;hydrochloride

C(CCN)CC(C(=O)O)N.Cl

InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H

BVHLGVCQOALMSV-UHFFFAOYSA-N

C6H15ClN2O2

182.65

182.082205

null

89.3

106

0

4

5

11

null

0

1

0

1-DOCOSANOL

000661-19-8

12,620

docosan-1-ol

CCCCCCCCCCCCCCCCCCCCCCO

InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3

NOPFSRXAKWQILS-UHFFFAOYSA-N

C22H46O

326.6

326.354866

10.5

20.2

190

0

1

20

23

195 °C

180 °C at 0.22 mm Hg

1

0

1

0

CALCIUM CHLORIDE, DIHYDRATE

010035-04-8

6,093,260

calcium;dichloride;dihydrate

O.O.[Cl-].[Cl-].[Ca+2]

InChI=1S/Ca.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2

LLSDKQJKOVVTOJ-UHFFFAOYSA-L

CaCl2H4O2

147.01

145.921426

null

2

0

2

4

0

5

null

0

1

0

L-ARGININE

000074-79-3

6,322

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid

C(C[C@@H](C(=O)O)N)CN=C(N)N

InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1

ODKSFYDXXFIFQN-BYPYZUCNSA-N

C6H14N4O2

174.2

174.111676

-4.2

128

176

0

4

5

12

null

0

1

0

SODIUM PHOSPHATE, MONOBASIC

007558-80-7

23,672,064

sodium dihydrogen phosphate

OP(=O)(O)[O-].[Na+]

InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1

AJPJDKMHJJGVTQ-UHFFFAOYSA-M

H2NaO4P

119.977

119.95884

null

80.6

61

0

2

4

0

6

null

0

1

0

TETRAETHYLENE GLYCOL

000112-60-7

8,200

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

C(COCCOCCOCCO)O

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

UWHCKJMYHZGTIT-UHFFFAOYSA-N

C8H18O5

194.23

194.115424

-1.6

68.2

78

0

2

5

10

13

360 °F (USCG, 1999)

621 °F at 760 mmHg (USCG, 1999)

0

1

0

CALCIUM STEARATE

001592-23-0

15,324

calcium bis(octadecanoate)

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]

InChI=1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2

CJZGTCYPCWQAJB-UHFFFAOYSA-L

C36H70CaO4

607

606.490002

null

80.3

196

0

4

30

41

null

0

1

0

1

D(+)-GALACTOSAMINE HYDROCHLORIDE

001772-03-8

74,493

(2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride

C([C@H]([C@@H]([C@@H]([C@H](C=O)N)O)O)O)O.Cl

InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H/t3-,4+,5+,6-;/m0./s1

CBOJBBMQJBVCMW-NQZVPSPJSA-N

C6H14ClNO5

215.63

215.05605

null

124

142

0

6

5

13

null

0

1

0

STRONTIUM ZIRCONATE

012036-39-4

82,852

strontium dioxido(oxo)zirconium

[O-][Zr](=O)[O-].[Sr+2]

InChI=1S/3O.Sr.Zr/q;2*-1;+2;

FCCTVDGKMTZSPU-UHFFFAOYSA-N

O3SrZr

226.84

225.795055

null

63.2

18

0

3

0

5

null

0

1

0

POTASSIUM PYROPHOSPHATE

007320-34-5

23,740

tetrapotassium;phosphonato phosphate

[O-]P(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+]

InChI=1S/4K.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4

RYCLIXPGLDDLTM-UHFFFAOYSA-J

K4O7P2

330.34

329.766752

null

136

124

0

7

0

13

null

0

1

0

NIOBIUM SILICIDE

012034-80-9

6,336,884

null

[Si]=[Nb]=[Si]

InChI=1S/Nb.2Si

GXAAOBARRLPQRY-UHFFFAOYSA-N

NbSi2

149.08

148.86023

null

0

18

0

3

null

0

1

0

1

VERMICULITE

001318-00-9

156,593,754

null

O.[OH-].[O].[O-][Si](=O)[O-].[Mg].[Al].[Fe]

InChI=1S/Al.Fe.Mg.O3Si.2H2O.O/c;;;1-4(2)3;;;/h;;;;2*1H2;/q;;;-2;;;/p-1

CLRQDEYEBLCJFZ-UHFFFAOYSA-M

AlFeH3MgO6Si-3

234.24

233.871405

null

66.2

18

-3

2

6

0

10

null

0

1

0

1

FERRIC CITRATE, N-HYDRATE

002338-05-8

4,989,393

2-hydroxypropane-1,2,3-tricarboxylic acid;iron

C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Fe]

InChI=1S/C6H8O7.Fe/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);

HUTBITLDXCEAPZ-UHFFFAOYSA-N

C6H8FeO7

247.97

247.961938

null

132

233

0

4

7

0

14

null

0

1

0

POTASSIUM TANTALATE

012030-91-0

165,993

potassium;tris(oxygen(2-));tantalum(5+)

[O-2].[O-2].[O-2].[K+].[Ta+5]

InChI=1S/K.3O.Ta/q+1;3*-2;+5

HGMNOOPONDJVDV-UHFFFAOYSA-N

KO3Ta

268.044

267.89645

null

3

0

3

0

5

null

0

1

0

1

2-METHYL-2-NITROSOPROPANE DIMER

006841-96-9

44,134,826

2-methyl-2-nitrosopropane

CC(C)(C)N=O.CC(C)(C)N=O

InChI=1S/2C4H9NO/c2*1-4(2,3)5-6/h2*1-3H3

PKKJRWITDTTZCL-UHFFFAOYSA-N

C8H18N2O2

174.24

174.136828

null

58.9

53

0

4

0

12

null

0

1

0

6-PHOSPHOGLUCONIC ACID GRADE III TRISODIUM SALT

053411-70-4

422

2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid

C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O

InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)

BIRSGZKFKXLSJQ-UHFFFAOYSA-N

C6H13O10P

276.14

276.024634

-4.5

185

299

0

7

10

7

17

null

0

1

0

1

HEXAETHYLENE GLYCOL

002615-15-8

17,472

2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C(COCCOCCOCCOCCOCCO)O

InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2

IIRDTKBZINWQAW-UHFFFAOYSA-N

C12H26O7

282.33

282.167853

-1.9

86.6

141

0

2

7

16

19

null

0

1

0

ALPHA-AMINOISOBUTYRIC ACID

000062-57-7

6,119

2-amino-2-methylpropanoic acid

CC(C)(C(=O)O)N

InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)

FUOOLUPWFVMBKG-UHFFFAOYSA-N

C4H9NO2

103.12

103.063329

-2.8

63.3

87

0

2

3

1

7

null

0

1

0

POLY(OXY-1,4-BUTANEDIYL)-A-HYDRO-W-HYDROXY

025190-06-1

3,084,433

(2S)-2-butoxybutan-1-ol

CCCCO[C@@H](CC)CO

InChI=1S/C8H18O2/c1-3-5-6-10-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1

BJZYYSAMLOBSDY-QMMMGPOBSA-N

C8H18O2

146.23

146.13068

1.6

29.5

64

0

1

2

6

10

null

0

1

0

CERIUM(IV) HYDROXIDE

012014-56-1

10,219,931

cerium(4+) tetrahydroxide

[OH-].[OH-].[OH-].[OH-].[Ce+4]

InChI=1S/Ce.4H2O/h;4*1H2/q+4;;;;/p-4

WTVAYLQYAWAHAX-UHFFFAOYSA-J

CeH4O4

208.15

207.91641

null

4

0

4

0

5

null

0

1

0

3,6-DITHIA-1,8-OCTANEDIOL

005244-34-8

78,904

2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol

C(CSCCSCCO)O

InChI=1S/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

PDHFSBXFZGYBIP-UHFFFAOYSA-N

C6H14O2S2

182.3

182.043522

0

91.1

53

0

2

4

7

10

null

0

1

0

DL-2-AMINOBUTYRIC ACID

002835-81-6

6,657

2-aminobutanoic acid

CCC(C(=O)O)N

InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

QWCKQJZIFLGMSD-UHFFFAOYSA-N

C4H9NO2

103.12

103.063329

-2.5

63.3

72

0

2

3

2

7

null

0

1

0

BIS(2-ETHOXYETHYL) DECANEDIOATE

000624-10-2

73,956

bis(2-ethoxyethyl) decanedioate

CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC

InChI=1S/C18H34O6/c1-3-21-13-15-23-17(19)11-9-7-5-6-8-10-12-18(20)24-16-14-22-4-2/h3-16H2,1-2H3

UVRXDBUBNLXONB-UHFFFAOYSA-N

C18H34O6

346.5

346.235539

3.2

71.1

276

0

6

19

24

null

0

1

0

DIMETHYL ADIPATE

000627-93-0

12,329

dimethyl hexanedioate

COC(=O)CCCCC(=O)OC

InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3

UDSFAEKRVUSQDD-UHFFFAOYSA-N

C8H14O4

174.19

174.089209

1

52.6

135

0

4

7

12

225 °F (USCG, 1999)

228.2 to 230 °F at 14 mmHg (USCG, 1999)

0

1

0

METHYL ACETYL RICINOLEATE

000140-03-4

5,354,176

methyl (Z,12R)-12-acetyloxyoctadec-9-enoate

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)OC(=O)C

InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-/t20-/m1/s1

CMOYPQWMTBSLJK-ACQXMXPUSA-N

C21H38O4

354.5

354.27701

6.6

52.6

363

0

4

18

25

null

0

1

0

LAURIC ACID MONOISO-PROPANOLAMIDE

000142-54-1

9,903,249

N-(2-hydroxypropyl)dodecanamide

CCCCCCCCCCCC(=O)NCC(C)O

InChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14(2)17/h14,17H,3-13H2,1-2H3,(H,16,18)

MMBILEWCGWTAOV-UHFFFAOYSA-N

C15H31NO2

257.41

257.235479

4.4

49.3

195

0

2

12

18

null

0

1

0

ZINC PALMITATE

004991-47-3

9,829,659

zinc bis(hexadecanoate)

CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]

InChI=1S/2C16H32O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2

GJAPSKMAVXDBIU-UHFFFAOYSA-L

C32H62O4Zn

576.2

574.393952

null

80.3

172

0

4

26

37

null

1

0

1

0

AMMONIUM LAURATE

002437-23-2

159,661

azanium dodecanoate

CCCCCCCCCCCC(=O)[O-].[NH4+]

InChI=1S/C12H24O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);1H3

VJCJAQSLASCYAW-UHFFFAOYSA-N

C12H27NO2

217.35

217.204179

null

41.1

127

0

1

2

9

15

null

0

1

0

TRIETHANOLAMINE LAURATE

002224-49-9

62,441

2-[bis(2-hydroxyethyl)amino]ethanol;dodecanoic acid

CCCCCCCCCCCC(=O)O.C(CO)N(CCO)CCO

InChI=1S/C12H24O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;8-4-1-7(2-5-9)3-6-10/h2-11H2,1H3,(H,13,14);8-10H,1-6H2

WLMZUANPXHJWCH-UHFFFAOYSA-N

C18H39NO5

349.5

349.282823

null

101

188

0

4

6

16

24

null

0

1

0

A-KETOISOCAPROIC ACID SODIUM

004502-00-5

4,137,900

sodium 4-methyl-2-oxopentanoate

CC(C)CC(=O)C(=O)[O-].[Na+]

InChI=1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1

IXFAZKRLPPMQEO-UHFFFAOYSA-M

C6H9NaO3

152.12

152.044938

null

57.2

131

0

3

10

null

0

1

0

FERRIC CITRATE

003522-50-7

61,300

2-hydroxypropane-1,2,3-tricarboxylate;iron(3+)

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Fe+3]

InChI=1S/C6H8O7.Fe/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);/q;+3/p-3

NPFOYSMITVOQOS-UHFFFAOYSA-K

C6H5FeO7

244.94

244.938463

null

141

211

0

1

7

2

14

null

0

1

0

1-EICOSANOL

000629-96-9

12,404

icosan-1-ol

CCCCCCCCCCCCCCCCCCCCO

InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3

BTFJIXJJCSYFAL-UHFFFAOYSA-N

C20H42O

298.5

298.323566

9.5

20.2

167

0

1

18

21

195 °C

309 °C at 750 mm Hg; 222 °C at 3 mm Hg

0

1

0

1,2-BUTANEDIOL

000584-03-2

11,429

butane-1,2-diol

CCC(CO)O

InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3

BMRWNKZVCUKKSR-UHFFFAOYSA-N

C4H10O2

90.12

90.06808

-0.2

40.5

28

0

2

6

90 °C

195-196.9 °C

0

1

0

N-ACETYL-L-CYSTEINE

000616-91-1

12,035

(2R)-2-acetamido-3-sulfanylpropanoic acid

CC(=O)N[C@@H](CS)C(=O)O

InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1

PWKSKIMOESPYIA-BYPYZUCNSA-N

C5H9NO3S

163.2

163.030314

0.4

67.4

148

0

3

4

3

10

null

0

1

0

CALCIUM CHLORIDE HEXAHYDRATE

007774-34-7

6,093,252

calcium;dichloride;hexahydrate

O.O.O.O.O.O.[Cl-].[Cl-].[Ca+2]

InChI=1S/Ca.2ClH.6H2O/h;2*1H;6*1H2/q+2;;;;;;;;/p-2

QHFQAJHNDKBRBO-UHFFFAOYSA-L

CaCl2H12O6

219.07

217.963684

null

6

0

6

8

0

9

null

0

1

0

TRI(ETHYLENE GLYCOL) MONOETHYL ETHER

000112-50-5

8,190

2-[2-(2-ethoxyethoxy)ethoxy]ethanol

CCOCCOCCOCCO

InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3

WFSMVVDJSNMRAR-UHFFFAOYSA-N

C8H18O4

178.23

178.120509

-0.7

47.9

77

0

1

4

9

12

275 °F (USCG, 1999)

493 °F at 760 mmHg (USCG, 1999)

0

1

0

4-DECANOL

002051-31-2

16,320

decan-4-ol

CCCCCCC(CCC)O

InChI=1S/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3

DTDMYWXTWWFLGJ-UHFFFAOYSA-N

C10H22O

158.28

158.167065

3.8

20.2

71

0

1

7

11

null

0

1

0

L-ASPARTIC-4-13C ACID

081201-98-1

16,213,452

(2S)-2-amino(413C)butanedioic acid

C([C@@H](C(=O)O)N)[13C](=O)O

InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i3+1

CKLJMWTZIZZHCS-NSQKCYGPSA-N

C4H7NO4

134.1

134.040863

-2.8

101

133

0

3

5

3

9

null

0

1

0

N-(2-AMINOETHYL)GLYCINE

024123-14-6

428,913

2-(2-aminoethylamino)acetic acid

C(CNCC(=O)O)N

InChI=1S/C4H10N2O2/c5-1-2-6-3-4(7)8/h6H,1-3,5H2,(H,7,8)

PIINGYXNCHTJTF-UHFFFAOYSA-N

C4H10N2O2

118.13

118.074228

-3.8

75.4

74

0

3

4

8

null

0

1

0

2,2-BIS(HYDROXYMETHYL)PROPIONIC ACID

004767-03-7

78,501

3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid

CC(CO)(CO)C(=O)O

InChI=1S/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9)

PTBDIHRZYDMNKB-UHFFFAOYSA-N

C5H10O4

134.13

134.057909

-1.3

77.8

106

0

3

4

3

9

null

0

1

0

1

1,2-OCTANEDIOL

001117-86-8

14,231

octane-1,2-diol

CCCCCCC(CO)O

InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3

AEIJTFQOBWATKX-UHFFFAOYSA-N

C8H18O2

146.23

146.13068

1.8

40.5

64

0

2

6

10

null

0

1

0

GLYOXYLIC ACID, SODIUM SALT

002706-75-4

23,662,273

sodium oxaldehydate

C(=O)C(=O)[O-].[Na+]

InChI=1S/C2H2O3.Na/c3-1-2(4)5;/h1H,(H,4,5);/q;+1/p-1

SOEVVANXSDKPIY-UHFFFAOYSA-M

C2HNaO3

96.02

95.982338

null

57.2

59

0

3

1

6

null

0

1

0

N-BOC-SERINOL

125414-41-7

10,631,565

tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate

CC(C)(C)OC(=O)NC(CO)CO

InChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-6(4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12)

JHBKBRLRYPYBLP-UHFFFAOYSA-N

C8H17NO4

191.22

191.115758

-0.4

78.8

160

0

3

4

5

13

null

0

1

0

HOLMIUM(III) PHOSPHATE, ANHYDROUS

014298-39-6

16,217,787

holmium(3+) phosphate

[O-]P(=O)([O-])[O-].[Ho+3]

InChI=1S/Ho.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3

ZFEZZRFBMNCXLQ-UHFFFAOYSA-K

HoO4P

259.902

259.88375

null

86.3

36

0

4

0

6

null

0

1

0

1-TETRACOSANOL

000506-51-4

10,472

tetracosan-1-ol

CCCCCCCCCCCCCCCCCCCCCCCCO

InChI=1S/C24H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h25H,2-24H2,1H3

TYWMIZZBOVGFOV-UHFFFAOYSA-N

C24H50O

354.7

354.386166

11.6

20.2

214

0

1

22

25

null

210 °C at 0.4 mm Hg

0

1

0

ETHYL ALLOPHANATE

000626-36-8

69,380

ethyl N-carbamoylcarbamate

CCOC(=O)NC(=O)N

InChI=1S/C4H8N2O3/c1-2-9-4(8)6-3(5)7/h2H2,1H3,(H3,5,6,7,8)

PIHPSKJRLDSJPX-UHFFFAOYSA-N

C4H8N2O3

132.12

132.053492

0.1

81.4

123

0

2

3

2

9

null

0

1

0

IMINODIACETIC ACID DISODIUM SALT

000928-72-3

13,575

disodium;2-(carboxylatomethylamino)acetate

C(C(=O)[O-])NCC(=O)[O-].[Na+].[Na+]

InChI=1S/C4H7NO4.2Na/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2

HAXVIVNBOQIMTE-UHFFFAOYSA-L

C4H5NNa2O4

177.07

177.001396

null

92.3

96

0

1

5

2

11

null

0

1

0

1,2-DICHLORO-1,1-DIFLUOROETHANE

001649-08-7

15,442

1,2-dichloro-1,1-difluoroethane

C(C(F)(F)Cl)Cl

InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2

SKDFWEPBABSFMG-UHFFFAOYSA-N

C2H2Cl2F2

134.94

133.950162

2.2

0

44

0

2

1

6

null

46.8 °C @ 760 mm Hg

0

1

0

METHYLENEBUTANEDIOIC ACID DIBUTYL ESTER

002155-60-4

75,080

dibutyl 2-methylidenebutanedioate

CCCCOC(=O)CC(=C)C(=O)OCCCC

InChI=1S/C13H22O4/c1-4-6-8-16-12(14)10-11(3)13(15)17-9-7-5-2/h3-10H2,1-2H3

OGVXYCDTRMDYOG-UHFFFAOYSA-N

C13H22O4

242.31

242.151809

3

52.6

258

0

4

11

17

null

0

1

0

1-CHLOROUNDECANE

002473-03-2

17,186

1-chloroundecane

CCCCCCCCCCCCl

InChI=1S/C11H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3

ZHKKNUKCXPWZOP-UHFFFAOYSA-N

C11H23Cl

190.75

190.148828

6.3

0

71

0

9

12

null

1

0

1

0

1

GLYCERYL METHACRYLATE

005919-74-4

65,442

2,3-dihydroxypropyl 2-methylprop-2-enoate

CC(=C)C(=O)OCC(CO)O

InChI=1S/C7H12O4/c1-5(2)7(10)11-4-6(9)3-8/h6,8-9H,1,3-4H2,2H3

QRIMLDXJAPZHJE-UHFFFAOYSA-N

C7H12O4

160.17

160.073559

-0.1

66.8

153

0

2

4

5

11

null

0

1

0

PRASEODYMIUM(III) CHLORIDE HEXAHYDRATE

017272-46-7

46,173,011

praseodymium(3+);trichloride;hexahydrate

O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Pr+3]

InChI=1S/3ClH.6H2O.Pr/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3

HZYWHLVESVMEHZ-UHFFFAOYSA-K

Cl3H12O6Pr

355.35

353.87761

null

6

0

6

9

0

10

null

0

1

0

(+-) -2-Aminopimelic Acid

000627-76-9

101,122

2-aminoheptanedioic acid

C(CCC(=O)O)CC(C(=O)O)N

InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)

JUQLUIFNNFIIKC-UHFFFAOYSA-N

C7H13NO4

175.18

175.084458

-2.6

101

169

0

3

5

6

12

null

0

1

0

1

TETRADECAN-3-ONE

000629-23-2

69,418

tetradecan-3-one

CCCCCCCCCCCC(=O)CC

InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3-13H2,1-2H3

OCHYRSKMMMYUMI-UHFFFAOYSA-N

C14H28O

212.37

212.214016

5.6

17.1

140

0

1

11

15

null

0

1

0

ALUMINUM HYDROXIDE, HYDRATE

001330-44-5

22,721,319

aluminum;trihydroxide;hydrate

O.[OH-].[OH-].[OH-].[Al+3]

InChI=1S/Al.4H2O/h;4*1H2/q+3;;;;/p-3

SMYKVLBUSSNXMV-UHFFFAOYSA-K

AlH5O4

96.019

96.000322

null

4

0

4

0

5

null

0

1

0

ADIPIC ACID-D10

025373-21-1

16,212,946

dideuterio 2,2,3,3,4,4,5,5-octadeuteriohexanedioate

[2H]C([2H])(C(=O)O[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[2H]

InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/i1D2,2D2,3D2,4D2/hD2

WNLRTRBMVRJNCN-YQMDOBQVSA-N

C6H10O4

156.2

156.120676

0.1

74.6

114

0

2

4

5

10

null

0

1

0

1-OCTANOL-D18

069974-54-5

12,215,303

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecadeuterio-8-deuteriooxyoctane

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O[2H]

InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D

KBPLFHHGFOOTCA-PBYHGZINSA-N

C8H18O

148.34

148.248747

3

20.2

43

0

1

6

9

null

0

1

0

1

ZINC CTRATE DIHYDRATE

005990-32-9

16,213,234

trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);dihydrate

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Zn+2].[Zn+2].[Zn+2]

InChI=1S/2C6H8O7.2H2O.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2;;;/q;;;;3*+2/p-6

OXAGUGIXGVHDGD-UHFFFAOYSA-H

C12H14O16Zn3

610.4

607.8125

null

283

211

0

4

16

4

31

null

1

0

1

0

5-(DIMETHYLAMINO)-2-METHYL-5-OXO-PENTANOIC ACID, METHYL ESTER

1174627-68-9

58,332,853

methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate

CC(CCC(=O)N(C)C)C(=O)OC

InChI=1S/C9H17NO3/c1-7(9(12)13-4)5-6-8(11)10(2)3/h7H,5-6H2,1-4H3

WEFZXWJJPHGTTN-UHFFFAOYSA-N

C9H17NO3

187.24

187.120843

0.4

46.6

189

0

3

5

13

null

0

1

0

PENTANE-1,3,5-TRICARBOXYLIC ACID

006940-58-5

96,220

pentane-1,3,5-tricarboxylic acid

C(CC(=O)O)C(CCC(=O)O)C(=O)O

InChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)

ROTJZTYLACIJIG-UHFFFAOYSA-N

C8H12O6

204.18

204.063388

-0.5

112

216

0

3

6

7

14

null

0

1

0

PENTANE-1,2,5-TRIOL

014697-46-2

85,763

pentane-1,2,5-triol

C(CC(CO)O)CO

InChI=1S/C5H12O3/c6-3-1-2-5(8)4-7/h5-8H,1-4H2

WEAYWASEBDOLRG-UHFFFAOYSA-N

C5H12O3

120.15

120.078644

-1

60.7

46

0

3

4

8

null

0

1

0

ACETIC ACID, CYANO-, METHYL ESTER

000105-34-0

7,747

methyl 2-cyanoacetate

COC(=O)CC#N

InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3

ANGDWNBGPBMQHW-UHFFFAOYSA-N

C4H5NO2

99.09

99.032028

-0.5

50.1

110

0

3

2

7

null

0

1

0

1,3-PROPANEDIOL, 2-BUTYL-2-ETHYL-

000115-84-4

61,038

2-butyl-2-ethylpropane-1,3-diol

CCCCC(CC)(CO)CO

InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3

DSKYSDCYIODJPC-UHFFFAOYSA-N

C9H20O2

160.25

160.14633

1.8

40.5

87

0

2

6

11

null

0

1

0

CARBAMIC ACID, 2-METHYLPROPYL ESTER

000543-28-2

10,973

2-methylpropyl carbamate

CC(C)COC(=O)N

InChI=1S/C5H11NO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3,(H2,6,7)

BRUZQRBVNRKLJG-UHFFFAOYSA-N

C5H11NO2

117.15

117.078979

0.6

52.3

80

0

1

2

3

8

null

0

1

0

HYDRAZINE, ETHYL-

000624-80-6

29,062

ethylhydrazine

CCNN

InChI=1S/C2H8N2/c1-2-4-3/h4H,2-3H2,1H3

WHRIKZCFRVTHJH-UHFFFAOYSA-N

C2H8N2

60.1

60.068748

-0.6

38.1

8

0

2

1

4

null

0

1

0

PROPANOIC ACID, 2-HYDROXY-, CALCIUM SALT (2:1)

000814-80-2

13,144

calcium bis(2-hydroxypropanoate)

CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2]

InChI=1S/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2

MKJXYGKVIBWPFZ-UHFFFAOYSA-L

C6H10CaO6

218.22

218.010329

null

121

53

0

2

6

0

13

null

0

1

0

1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, TRILITHIUM SALT

000919-16-4

13,520

trilithium;2-hydroxypropane-1,2,3-tricarboxylate

[Li+].[Li+].[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI=1S/C6H8O7.3Li/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);;;/q;3*+1/p-3

WJSIUCDMWSDDCE-UHFFFAOYSA-K

C6H5Li3O7

210

210.051538

null

141

211

0

1

7

2

16

null

0

1

0

3-NONANONE

000925-78-0

61,235

nonan-3-one

CCCCCCC(=O)CC

InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3

IYTXKIXETAELAV-UHFFFAOYSA-N

C9H18O

142.24

142.135765

2.8

17.1

86

0

1

6

10

null

187.00 to 188.00 °C. @ 760.00 mm Hg

0

1

0

PROPANOIC ACID, 2-HYDROXY-, MONOPOTASSIUM SALT

000996-31-6

23,671,663

potassium 2-hydroxypropanoate

CC(C(=O)[O-])O.[K+]

InChI=1S/C3H6O3.K/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1

PHZLMBHDXVLRIX-UHFFFAOYSA-M

C3H5KO3

128.17

127.987576

null

60.4

63

0

1

3

1

7

null

0

1

0

3,6,9,12-TETRAOXAHEXADECAN-1-OL

001559-34-8

73,791

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethanol

CCCCOCCOCCOCCOCCO

InChI=1S/C12H26O5/c1-2-3-5-14-7-9-16-11-12-17-10-8-15-6-4-13/h13H,2-12H2,1H3

MXVMODFDROLTFD-UHFFFAOYSA-N

C12H26O5

250.33

250.178024

0.3

57.2

132

0

1

5

14

17

166 °C o.c.

304 °C

0

1

0

PROPANE, 1,1,1,2,2,3,3-HEPTAFLUORO-3-[(TRIFLUOROETHENYL)OXY]-

001623-05-8

15,388

1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane

C(=C(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F

InChI=1S/C5F10O/c6-1(7)2(8)16-5(14,15)3(9,10)4(11,12)13

KHXKESCWFMPTFT-UHFFFAOYSA-N

C5F10O

266.04

265.978946

3.7

9.2

284

0

11

3

16

null

0

1

0

9-OCTADECENOIC ACID (Z)-, COMPD. WITH 2-AMINOETHANOL (1:1)

002272-11-9

5,282,489

2-aminoethanol;(Z)-octadec-9-enoic acid

CCCCCCCC/C=C\CCCCCCCC(=O)O.C(CO)N

InChI=1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-;

KGWDUNBJIMUFAP-KVVVOXFISA-N

C20H41NO3

343.5

343.308644

null

83.6

244

0

3

4

16

24

null

0

1

0

6-OCTEN-3-ONE, 4,7-DIMETHYL-

002550-11-0

102,844

4,7-dimethyloct-6-en-3-one

CCC(=O)C(C)CC=C(C)C

InChI=1S/C10H18O/c1-5-10(11)9(4)7-6-8(2)3/h6,9H,5,7H2,1-4H3

WKQWDIFHKYWRTA-UHFFFAOYSA-N

C10H18O

154.25

154.135765

2.9

17.1

152

0

1

4

11

null

0

1

0

2-BUTENEDIOIC ACID (E)-, BIS[3-(TRIMETHOXYSILYL)PROPYL] ESTER

003371-62-8

6,436,929

bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate

CO[Si](CCCOC(=O)/C=C/C(=O)OCCC[Si](OC)(OC)OC)(OC)OC

InChI=1S/C16H32O10Si2/c1-19-27(20-2,21-3)13-7-11-25-15(17)9-10-16(18)26-12-8-14-28(22-4,23-5)24-6/h9-10H,7-8,11-14H2,1-6H3/b10-9+

GPWPWELMLCKXRP-MDZDMXLPSA-N

C16H32O10Si2

440.59

440.1534

null

108

420

0

10

18

28

null

0

1

0

L-ASPARTIC ACID, N-(3-CARBOXY-1-OXO-2-SULFOPROPYL)-N-OCTADECYL-, TETRASODIUM S

003401-73-8

91,667,938

sodium (2S)-2-[(3-carboxylato-2-sulfonatopropanoyl)-octadecylamino]butanedioate

CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)[O-])C(=O)[O-])C(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+]

InChI=1S/C26H47NO10S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(26(33)34)19-23(28)29)25(32)22(20-24(30)31)38(35,36)37;/h21-22H,2-20H2,1H3,(H,28,29)(H,30,31)(H,33,34)(H,35,36,37);/q;+1/p-4/t21-,22?;/m0./s1

JDCNYYIVPGPEEQ-GYFCLUQUSA-J

C26H43NNaO10S-3

584.7

584.250537

null

206

779

-3

0

10

21

39

null

0

1

0

1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, DIPOTASSIUM SALT

003609-96-9

145,702

dipotassium;2-(carboxymethyl)-2-hydroxybutanedioate

C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+]

InChI=1S/C6H8O7.2K/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);;/q;2*+1/p-2

UZLGHNUASUZUOR-UHFFFAOYSA-L

C6H6K2O7

268.3

267.938766

null

138

234

0

2

7

3

15

null

0

1

0

4-HEPTANONE, 2,6-DIHYDROXY-2,6-DIMETHYL-

003682-91-5

77,259

2,6-dihydroxy-2,6-dimethylheptan-4-one

CC(C)(CC(=O)CC(C)(C)O)O

InChI=1S/C9H18O3/c1-8(2,11)5-7(10)6-9(3,4)12/h11-12H,5-6H2,1-4H3

GSKOWRJEBKQTKZ-UHFFFAOYSA-N

C9H18O3

174.24

174.125594

-0.3

57.5

153

0

2

3

4

12

null

0

1

0

ACETIC ACID, MERCAPTO-, DODECYL ESTER

003746-39-2

19,546

dodecyl 2-sulfanylacetate

CCCCCCCCCCCCOC(=O)CS

InChI=1S/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17/h17H,2-13H2,1H3

TVMDUMQNXXNGMG-UHFFFAOYSA-N

C14H28O2S

260.44

260.181001

5.9

27.3

172

0

1

3

13

17

null

0

1

0