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Alcohols and polyols

Organic compounds containing one or more hydroxyl functional groups bonded to a carbon atom; hydroxyls consist of an oxygen atom bonded to a hydrogen atom. Alcohols exist in chain, or as closed rings. Polyols contain two or more hydroxyl groups.

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1

Glycerol monostearate, purified

CAS: 31566-31-1 Molecular Formula: C21H42O4 Molecular Weight (g/mol): 358.563 MDL Number: MFCD00036186 InChI Key: VBICKXHEKHSIBG-UHFFFAOYSA-N Synonym: glyceryl monostearate,monostearin,glyceryl stearate,1-stearoyl-rac-glycerol,tegin,1-monostearin,1-glyceryl stearate,glycerol monostearate,1-monostearoylglycerol,octadecanoic acid, 2,3-dihydroxypropyl ester PubChem CID: 24699 ChEBI: CHEBI:75555 IUPAC Name: 2,3-dihydroxypropyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O

EDGE
PubChem CID 24699
CAS 31566-31-1
Molecular Weight (g/mol) 358.563
ChEBI CHEBI:75555
MDL Number MFCD00036186
SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Synonym glyceryl monostearate,monostearin,glyceryl stearate,1-stearoyl-rac-glycerol,tegin,1-monostearin,1-glyceryl stearate,glycerol monostearate,1-monostearoylglycerol,octadecanoic acid, 2,3-dihydroxypropyl ester
IUPAC Name 2,3-dihydroxypropyl octadecanoate
InChI Key VBICKXHEKHSIBG-UHFFFAOYSA-N
Molecular Formula C21H42O4
2

1,2-Propanediol, ACS, 99.5% min

CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 MDL Number: MFCD00064272 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Synonym: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: propane-1,2-diol SMILES: CC(CO)O

EDGE
PubChem CID 1030
CAS 57-55-6
Molecular Weight (g/mol) 76.095
ChEBI CHEBI:16997
MDL Number MFCD00064272
SMILES CC(CO)O
Synonym 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost
IUPAC Name propane-1,2-diol
InChI Key DNIAPMSPPWPWGF-UHFFFAOYSA-N
Molecular Formula C3H8O2
3

2,2-Dimethyl-1,3-propanediol, 99%

CAS: 126-30-7 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00004685 InChI Key: SLCVBVWXLSEKPL-UHFFFAOYSA-N Synonym: neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol PubChem CID: 31344 IUPAC Name: 2,2-dimethylpropane-1,3-diol SMILES: CC(C)(CO)CO

EDGE
PubChem CID 31344
CAS 126-30-7
Molecular Weight (g/mol) 104.15
MDL Number MFCD00004685
SMILES CC(C)(CO)CO
Synonym neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol
IUPAC Name 2,2-dimethylpropane-1,3-diol
InChI Key SLCVBVWXLSEKPL-UHFFFAOYSA-N
Molecular Formula C5H12O2
4

1-Hexadecanol, 98%

CAS: 36653-82-4 Molecular Formula: C16H34O Molecular Weight (g/mol): 242.45 MDL Number: MFCD00004760 InChI Key: BXWNKGSJHAJOGX-UHFFFAOYSA-N Synonym: 1-hexadecanol,cetyl alcohol,hexadecanol,cetanol,palmityl alcohol,hexadecyl alcohol,n-cetyl alcohol,cetaffine,cetylol,cetal PubChem CID: 2682 ChEBI: CHEBI:16125 IUPAC Name: hexadecan-1-ol SMILES: CCCCCCCCCCCCCCCCO

EDGE
PubChem CID 2682
CAS 36653-82-4
Molecular Weight (g/mol) 242.45
ChEBI CHEBI:16125
MDL Number MFCD00004760
SMILES CCCCCCCCCCCCCCCCO
Synonym 1-hexadecanol,cetyl alcohol,hexadecanol,cetanol,palmityl alcohol,hexadecyl alcohol,n-cetyl alcohol,cetaffine,cetylol,cetal
IUPAC Name hexadecan-1-ol
InChI Key BXWNKGSJHAJOGX-UHFFFAOYSA-N
Molecular Formula C16H34O
5

(±)-1,3-Butanediol, 99%, extra pure

CAS: 107-88-0 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00004554 InChI Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N Synonym: 1,3-butanediol,1,3-butylene glycol,1,3-dihydroxybutane,methyltrimethylene glycol,1,3-butandiol,1-methyl-1,3-propanediol,beta-butylene glycol,1,3 butylene glycol,1,3-butylenglykol,rs-1,3-butandiol PubChem CID: 7896 ChEBI: CHEBI:52683 IUPAC Name: butane-1,3-diol SMILES: CC(CCO)O

EDGE
PubChem CID 7896
CAS 107-88-0
Molecular Weight (g/mol) 90.12
ChEBI CHEBI:52683
MDL Number MFCD00004554
SMILES CC(CCO)O
Synonym 1,3-butanediol,1,3-butylene glycol,1,3-dihydroxybutane,methyltrimethylene glycol,1,3-butandiol,1-methyl-1,3-propanediol,beta-butylene glycol,1,3 butylene glycol,1,3-butylenglykol,rs-1,3-butandiol
IUPAC Name butane-1,3-diol
InChI Key PUPZLCDOIYMWBV-UHFFFAOYSA-N
Molecular Formula C4H10O2
6

1,2-Pentanediol, 96%

CAS: 5343-92-0 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00010736 InChI Key: WCVRQHFDJLLWFE-UHFFFAOYNA-N Synonym: 1,2-pentanediol,1,2-dihydroxypentane,1,2-pentanediol, 2r,acmc-20mbh5,acmc-1axdb,3-01-00-02191 beilstein handbook reference,ksc271i3n,wcvrqhfdjllwfe-uhfffaoysa PubChem CID: 93000 IUPAC Name: pentane-1,2-diol SMILES: CCCC(O)CO

EDGE
PubChem CID 93000
CAS 5343-92-0
Molecular Weight (g/mol) 104.15
MDL Number MFCD00010736
SMILES CCCC(O)CO
Synonym 1,2-pentanediol,1,2-dihydroxypentane,1,2-pentanediol, 2r,acmc-20mbh5,acmc-1axdb,3-01-00-02191 beilstein handbook reference,ksc271i3n,wcvrqhfdjllwfe-uhfffaoysa
IUPAC Name pentane-1,2-diol
InChI Key WCVRQHFDJLLWFE-UHFFFAOYNA-N
Molecular Formula C5H12O2
7

Cafestol

CAS: 469-83-0 Molecular Formula: C20H28O3 Molecular Weight (g/mol): 316.44 MDL Number: MFCD01075769 InChI Key: DNJVYWXIDISQRD-HWUKTEKMSA-N Synonym: cafestol,cafesterol,ccris 1518,unii-ac465t6q6w,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs,5as,7r,8r,10ar,10bs,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs-3balpha,5abeta,7beta,8beta,10aalpha,10bbeta,--cafestol,1s,4s,12s,13r,16r,17r-17-hydroxymethyl-12-methyl-8-oxapentacyclo 14.2.1.0 1,13 .0 4,12 .0 5,9 nonadeca-5 9 ,6-dien-17-ol,3bs,5as,7r,8r,10ar,10bs-7-hydroxymethyl-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta 5,6 naphtho 2,1-b furan-7-ol PubChem CID: 108052 ChEBI: CHEBI:3291 IUPAC Name: (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3

PubChem CID 108052
CAS 469-83-0
Molecular Weight (g/mol) 316.44
ChEBI CHEBI:3291
MDL Number MFCD01075769
SMILES C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3
Synonym cafestol,cafesterol,ccris 1518,unii-ac465t6q6w,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs,5as,7r,8r,10ar,10bs,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs-3balpha,5abeta,7beta,8beta,10aalpha,10bbeta,--cafestol,1s,4s,12s,13r,16r,17r-17-hydroxymethyl-12-methyl-8-oxapentacyclo 14.2.1.0 1,13 .0 4,12 .0 5,9 nonadeca-5 9 ,6-dien-17-ol,3bs,5as,7r,8r,10ar,10bs-7-hydroxymethyl-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta 5,6 naphtho 2,1-b furan-7-ol
IUPAC Name (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol
InChI Key DNJVYWXIDISQRD-HWUKTEKMSA-N
Molecular Formula C20H28O3
8

tert-Butyl alcohol, anhydrous, 99.5%, packaged under Argon in resealable ChemSeal™ bottles

CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 MDL Number: MFCD00004464 InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N Synonym: tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol PubChem CID: 6386 ChEBI: CHEBI:45895 IUPAC Name: 2-methylpropan-2-ol SMILES: CC(C)(C)O

PubChem CID 6386
CAS 75-65-0
Molecular Weight (g/mol) 74.123
ChEBI CHEBI:45895
MDL Number MFCD00004464
SMILES CC(C)(C)O
Synonym tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol
IUPAC Name 2-methylpropan-2-ol
InChI Key DKGAVHZHDRPRBM-UHFFFAOYSA-N
Molecular Formula C4H10O
9

tert-Butyl alcohol, anhydrous, 99.5%

CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 MDL Number: MFCD00004464 InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N Synonym: tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol PubChem CID: 6386 ChEBI: CHEBI:45895 IUPAC Name: 2-methylpropan-2-ol SMILES: CC(C)(C)O

PubChem CID 6386
CAS 75-65-0
Molecular Weight (g/mol) 74.123
ChEBI CHEBI:45895
MDL Number MFCD00004464
SMILES CC(C)(C)O
Synonym tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol
IUPAC Name 2-methylpropan-2-ol
InChI Key DKGAVHZHDRPRBM-UHFFFAOYSA-N
Molecular Formula C4H10O
10

Pyrogallol, ACS, 99%

CAS: 87-66-1 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00002192 InChI Key: WQGWDDDVZFFDIG-UHFFFAOYSA-N Synonym: pyrogallol,1,2,3-trihydroxybenzene,pyrogallic acid,1,2,3-benzenetriol,fouramine brown ap,fourrine pg,fourrine 85,pyro,c.i. oxidation base 32,piral PubChem CID: 1057 ChEBI: CHEBI:16164 IUPAC Name: benzene-1,2,3-triol SMILES: OC1=CC=CC(O)=C1O

PubChem CID 1057
CAS 87-66-1
Molecular Weight (g/mol) 126.11
ChEBI CHEBI:16164
MDL Number MFCD00002192
SMILES OC1=CC=CC(O)=C1O
Synonym pyrogallol,1,2,3-trihydroxybenzene,pyrogallic acid,1,2,3-benzenetriol,fouramine brown ap,fourrine pg,fourrine 85,pyro,c.i. oxidation base 32,piral
IUPAC Name benzene-1,2,3-triol
InChI Key WQGWDDDVZFFDIG-UHFFFAOYSA-N
Molecular Formula C6H6O3
12

Zirconium(IV) tert-butoxide, 99.99% (metals basis), Thermo Scientific Chemicals

CAS: 2081-12-1 Molecular Formula: C16H40O4Zr Molecular Weight (g/mol): 387.72 MDL Number: MFCD00075085 InChI Key: WRMYASGYMABHCC-UHFFFAOYSA-N Synonym: zirconium iv tert-butoxide,2-methylpropan-2-ol; zirconium PubChem CID: 25203936 IUPAC Name: 2-methylpropan-2-ol;zirconium SMILES: CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]

PubChem CID 25203936
CAS 2081-12-1
Molecular Weight (g/mol) 387.72
MDL Number MFCD00075085
SMILES CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]
Synonym zirconium iv tert-butoxide,2-methylpropan-2-ol; zirconium
IUPAC Name 2-methylpropan-2-ol;zirconium
InChI Key WRMYASGYMABHCC-UHFFFAOYSA-N
Molecular Formula C16H40O4Zr
13

Zirconium(IV) tert-butoxide, 99% (metals basis), Thermo Scientific Chemicals

CAS: 2081-12-1 Molecular Formula: C16H40O4Zr Molecular Weight (g/mol): 387.72 MDL Number: MFCD00075085 InChI Key: WRMYASGYMABHCC-UHFFFAOYSA-N Synonym: zirconium iv tert-butoxide,2-methylpropan-2-ol; zirconium PubChem CID: 25203936 IUPAC Name: 2-methylpropan-2-ol;zirconium SMILES: CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]

PubChem CID 25203936
CAS 2081-12-1
Molecular Weight (g/mol) 387.72
MDL Number MFCD00075085
SMILES CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]
Synonym zirconium iv tert-butoxide,2-methylpropan-2-ol; zirconium
IUPAC Name 2-methylpropan-2-ol;zirconium
InChI Key WRMYASGYMABHCC-UHFFFAOYSA-N
Molecular Formula C16H40O4Zr
14

tert-Butyl alcohol, ACS, 99+%

CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 MDL Number: MFCD00004464 InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N Synonym: tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol PubChem CID: 6386 ChEBI: CHEBI:45895 IUPAC Name: 2-methylpropan-2-ol SMILES: CC(C)(C)O

PubChem CID 6386
CAS 75-65-0
Molecular Weight (g/mol) 74.123
ChEBI CHEBI:45895
MDL Number MFCD00004464
SMILES CC(C)(C)O
Synonym tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol
IUPAC Name 2-methylpropan-2-ol
InChI Key DKGAVHZHDRPRBM-UHFFFAOYSA-N
Molecular Formula C4H10O
15

Zirconium(IV) tert-butoxide, 97+%, Thermo Scientific Chemicals

CAS: 2081-12-1 Molecular Formula: C16H40O4Zr Molecular Weight (g/mol): 387.72 MDL Number: MFCD00075085 InChI Key: WRMYASGYMABHCC-UHFFFAOYSA-N Synonym: zirconium iv tert-butoxide,2-methylpropan-2-ol; zirconium PubChem CID: 25203936 IUPAC Name: 2-methylpropan-2-ol;zirconium SMILES: CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]

PubChem CID 25203936
CAS 2081-12-1
Molecular Weight (g/mol) 387.72
MDL Number MFCD00075085
SMILES CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]
Synonym zirconium iv tert-butoxide,2-methylpropan-2-ol; zirconium
IUPAC Name 2-methylpropan-2-ol;zirconium
InChI Key WRMYASGYMABHCC-UHFFFAOYSA-N
Molecular Formula C16H40O4Zr