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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Isoamyl Alcohol (Clear, Colorless/Certified ACS), Fisher Chemical™

CAS: 123-51-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002934 InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N Synonym: 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol PubChem CID: 31260 ChEBI: CHEBI:15837 IUPAC Name: 3-methylbutan-1-ol SMILES: CC(C)CCO

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PubChem CID	31260
CAS	123-51-3
Molecular Weight (g/mol)	88.15
ChEBI	CHEBI:15837
MDL Number	MFCD00002934
SMILES	CC(C)CCO
Synonym	3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol
IUPAC Name	3-methylbutan-1-ol
InChI Key	PHTQWCKDNZKARW-UHFFFAOYSA-N
Molecular Formula	C5H12O

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Phenethyl alcohol, 99%

CAS: 60-12-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002886 InChI Key: WRMNZCZEMHIOCP-UHFFFAOYSA-N Synonym: phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol PubChem CID: 6054 ChEBI: CHEBI:49000 SMILES: OCCC1=CC=CC=C1

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PubChem CID	6054
CAS	60-12-8
Molecular Weight (g/mol)	122.17
ChEBI	CHEBI:49000
MDL Number	MFCD00002886
SMILES	OCCC1=CC=CC=C1
Synonym	phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol
InChI Key	WRMNZCZEMHIOCP-UHFFFAOYSA-N
Molecular Formula	C8H10O

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Pyrogallol (Crystalline/Certified ACS), Fisher Chemical™

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

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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

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2-Mercaptoethanol (Reagent), Fisher Chemical

CAS: 60-24-2 Molecular Formula: C2H6OS Molecular Weight (g/mol): 78.13 MDL Number: MFCD00004890 InChI Key: DGVVWUTYPXICAM-UHFFFAOYSA-N Synonym: 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan PubChem CID: 1567 ChEBI: CHEBI:41218 IUPAC Name: 2-sulfanylethan-1-ol SMILES: OCCS

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PubChem CID	1567
CAS	60-24-2
Molecular Weight (g/mol)	78.13
ChEBI	CHEBI:41218
MDL Number	MFCD00004890
SMILES	OCCS
Synonym	2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan
IUPAC Name	2-sulfanylethan-1-ol
InChI Key	DGVVWUTYPXICAM-UHFFFAOYSA-N
Molecular Formula	C2H6OS

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Propylene Glycol (USP/FCC), Fisher Chemical™

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

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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

2-Acetamidoethanol 90.0+%, TCI America™

CAS: 142-26-7 Molecular Formula: C4H9NO2 Molecular Weight (g/mol): 103.121 MDL Number: MFCD00002836 InChI Key: PVCJKHHOXFKFRP-UHFFFAOYSA-N Synonym: n-2-hydroxyethyl acetamide,n-acetylethanolamine,2-acetamidoethanol,acetamide, n-2-hydroxyethyl,acetylcolamine,2-acetylaminoethanol,acetamide mea,n-ethanolacetamide,n-acetyl-2-aminoethanol,hydroxyethyl acetamide PubChem CID: 8880 ChEBI: CHEBI:74687 IUPAC Name: N-(2-hydroxyethyl)acetamide SMILES: CC(=O)NCCO

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Specifications

PubChem CID	8880
CAS	142-26-7
Molecular Weight (g/mol)	103.121
ChEBI	CHEBI:74687
MDL Number	MFCD00002836
SMILES	CC(=O)NCCO
Synonym	n-2-hydroxyethyl acetamide,n-acetylethanolamine,2-acetamidoethanol,acetamide, n-2-hydroxyethyl,acetylcolamine,2-acetylaminoethanol,acetamide mea,n-ethanolacetamide,n-acetyl-2-aminoethanol,hydroxyethyl acetamide
IUPAC Name	N-(2-hydroxyethyl)acetamide
InChI Key	PVCJKHHOXFKFRP-UHFFFAOYSA-N
Molecular Formula	C4H9NO2

2-Butyne-1,4-diol 99.0+%, TCI America™

CAS: 110-65-6 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002915 InChI Key: DLDJFQGPPSQZKI-UHFFFAOYSA-N Synonym: 2-butyne-1,4-diol,butynediol,1,4-dihydroxy-2-butyne,1,4-butynediol,bis hydroxymethyl acetylene,2-butynediol,2-butin-1,4-diol,agrisynth b3d,unii-axh202fpqm,1,4-butynediol van PubChem CID: 8066 ChEBI: CHEBI:16413 IUPAC Name: but-2-yne-1,4-diol SMILES: C(C#CCO)O

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Specifications

PubChem CID	8066
CAS	110-65-6
Molecular Weight (g/mol)	86.09
ChEBI	CHEBI:16413
MDL Number	MFCD00002915
SMILES	C(C#CCO)O
Synonym	2-butyne-1,4-diol,butynediol,1,4-dihydroxy-2-butyne,1,4-butynediol,bis hydroxymethyl acetylene,2-butynediol,2-butin-1,4-diol,agrisynth b3d,unii-axh202fpqm,1,4-butynediol van
IUPAC Name	but-2-yne-1,4-diol
InChI Key	DLDJFQGPPSQZKI-UHFFFAOYSA-N
Molecular Formula	C4H6O2

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Thermo Scientific Chemicals Chlorogenic acid, 98%

CAS: 327-97-9 Molecular Formula: C16H18O9 Molecular Weight (g/mol): 354.31 MDL Number: MFCD00003862 InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N Synonym: chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri PubChem CID: 1794427 ChEBI: CHEBI:16112 IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O

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Specifications

PubChem CID	1794427
CAS	327-97-9
Molecular Weight (g/mol)	354.31
ChEBI	CHEBI:16112
MDL Number	MFCD00003862
SMILES	O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
Synonym	chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri
IUPAC Name	(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
InChI Key	CWVRJTMFETXNAD-JUHZACGLSA-N
Molecular Formula	C16H18O9

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6-Bromo-1-hexanol, 95%

CAS: 4286-55-9 Molecular Formula: C6H13BrO Molecular Weight (g/mol): 181.07 MDL Number: MFCD00002983 InChI Key: FCMCSZXRVWDVAW-UHFFFAOYSA-N Synonym: 6-bromo-1-hexanol,6-bromohexanol,1-hexanol, 6-bromo,6-bromo-hexan-1-ol,hexamethylene bromohydrin,6-bromo-hexanol,6-bromo-l-hexanol,1-bromo-6-hexanol,1-bromohexan-6-ol,6-hydroxyhexyl bromide PubChem CID: 77970 IUPAC Name: 6-bromohexan-1-ol SMILES: OCCCCCCBr

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Specifications

PubChem CID	77970
CAS	4286-55-9
Molecular Weight (g/mol)	181.07
MDL Number	MFCD00002983
SMILES	OCCCCCCBr
Synonym	6-bromo-1-hexanol,6-bromohexanol,1-hexanol, 6-bromo,6-bromo-hexan-1-ol,hexamethylene bromohydrin,6-bromo-hexanol,6-bromo-l-hexanol,1-bromo-6-hexanol,1-bromohexan-6-ol,6-hydroxyhexyl bromide
IUPAC Name	6-bromohexan-1-ol
InChI Key	FCMCSZXRVWDVAW-UHFFFAOYSA-N
Molecular Formula	C6H13BrO

2-Methyl-1-propanol, 99+%, ACS reagent

CAS: 78-83-1 Molecular Formula: C₄H₁₀O Molecular Weight (g/mol): 74.12 MDL Number: MFCD00004740 InChI Key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N Synonym: 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol PubChem CID: 6560 ChEBI: CHEBI:46645 IUPAC Name: 2-methylpropan-1-ol SMILES: CC(C)CO

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Specifications

PubChem CID	6560
CAS	78-83-1
Molecular Weight (g/mol)	74.12
ChEBI	CHEBI:46645
MDL Number	MFCD00004740
SMILES	CC(C)CO
Synonym	2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol
IUPAC Name	2-methylpropan-1-ol
InChI Key	ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
Molecular Formula	C₄H₁₀O

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8-Chloro-1-octanol, 98%

CAS: 23144-52-7 Molecular Formula: C8H17ClO Molecular Weight (g/mol): 164.673 MDL Number: MFCD00040005 InChI Key: YDFAJMDFCCJZSI-UHFFFAOYSA-N Synonym: 8-chloro-1-octanol,1-octanol, 8-chloro,8-chlorooctanol,8-chloro-octan-1-ol,8-chloro-1-n-octanol,8-chlor-1-octanol,8-chlor-octan-1-ol,acmc-1cr4x PubChem CID: 90012 IUPAC Name: 8-chlorooctan-1-ol SMILES: C(CCCCCl)CCCO

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Specifications

PubChem CID	90012
CAS	23144-52-7
Molecular Weight (g/mol)	164.673
MDL Number	MFCD00040005
SMILES	C(CCCCCl)CCCO
Synonym	8-chloro-1-octanol,1-octanol, 8-chloro,8-chlorooctanol,8-chloro-octan-1-ol,8-chloro-1-n-octanol,8-chlor-1-octanol,8-chlor-octan-1-ol,acmc-1cr4x
IUPAC Name	8-chlorooctan-1-ol
InChI Key	YDFAJMDFCCJZSI-UHFFFAOYSA-N
Molecular Formula	C8H17ClO

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Thermo Scientific Chemicals myo-Inositol, 98+%

CAS: 87-89-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00077932 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N Synonym: scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: C1(C(C(C(C(C1O)O)O)O)O)O

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Specifications

PubChem CID	892
CAS	87-89-8
Molecular Weight (g/mol)	180.156
ChEBI	CHEBI:24848
MDL Number	MFCD00077932
SMILES	C1(C(C(C(C(C1O)O)O)O)O)O
Synonym	scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol
IUPAC Name	cyclohexane-1,2,3,4,5,6-hexol
InChI Key	CDAISMWEOUEBRE-UHFFFAOYSA-N
Molecular Formula	C6H12O6

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Oleyl alcohol, tech. 80-85%, Thermo Scientific Chemicals

CAS: 143-28-2 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.49 MDL Number: MFCD00002993 InChI Key: ALSTYHKOOCGGFT-KTKRTIGZSA-N Synonym: oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol PubChem CID: 5284499 ChEBI: CHEBI:73504 IUPAC Name: (9Z)-octadec-9-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCO

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Specifications

PubChem CID	5284499
CAS	143-28-2
Molecular Weight (g/mol)	268.49
ChEBI	CHEBI:73504
MDL Number	MFCD00002993
SMILES	CCCCCCCC\C=C/CCCCCCCCO
Synonym	oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol
IUPAC Name	(9Z)-octadec-9-en-1-ol
InChI Key	ALSTYHKOOCGGFT-KTKRTIGZSA-N
Molecular Formula	C18H36O

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Isopropyl glycolate, 96%

CAS: 623-61-0 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00046747 InChI Key: AZKIQQBSVTWCGY-UHFFFAOYSA-N Synonym: isopropyl glycolate,isopropyl 2-hydroxyacetate,isopropyl hydroxyacetate,2-hydroxyacetic acid isopropyl ester,acetic acid, hydroxy-, 1-methylethyl ester,isopropylglycolate,acmc-209x9i,glycolic acid isopropyl ester,ksc614s5p,hydroxy-acetic acid isopropyl ester PubChem CID: 69338 IUPAC Name: propan-2-yl 2-hydroxyacetate SMILES: CC(C)OC(=O)CO

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Specifications

PubChem CID	69338
CAS	623-61-0
Molecular Weight (g/mol)	118.132
MDL Number	MFCD00046747
SMILES	CC(C)OC(=O)CO
Synonym	isopropyl glycolate,isopropyl 2-hydroxyacetate,isopropyl hydroxyacetate,2-hydroxyacetic acid isopropyl ester,acetic acid, hydroxy-, 1-methylethyl ester,isopropylglycolate,acmc-209x9i,glycolic acid isopropyl ester,ksc614s5p,hydroxy-acetic acid isopropyl ester
IUPAC Name	propan-2-yl 2-hydroxyacetate
InChI Key	AZKIQQBSVTWCGY-UHFFFAOYSA-N
Molecular Formula	C5H10O3

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9-Bromo-1-nonanol, 98%

CAS: 55362-80-6 Molecular Formula: C9H19BrO Molecular Weight (g/mol): 223.15 MDL Number: MFCD00063348 InChI Key: USJDOLXCPFASNV-UHFFFAOYSA-N Synonym: 9-bromo-1-nonanol,1-nonanol, 9-bromo,9-bromo-nonan-1-ol,nonamethylene bromohydrin,9-bromnonan-1-ol,9-bromononanol,9-bromononyl alcohol,pubchem23429,9-bromo nonanol,acmc-1axfq PubChem CID: 108700 IUPAC Name: 9-bromononan-1-ol SMILES: OCCCCCCCCCBr

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Specifications

PubChem CID	108700
CAS	55362-80-6
Molecular Weight (g/mol)	223.15
MDL Number	MFCD00063348
SMILES	OCCCCCCCCCBr
Synonym	9-bromo-1-nonanol,1-nonanol, 9-bromo,9-bromo-nonan-1-ol,nonamethylene bromohydrin,9-bromnonan-1-ol,9-bromononanol,9-bromononyl alcohol,pubchem23429,9-bromo nonanol,acmc-1axfq
IUPAC Name	9-bromononan-1-ol
InChI Key	USJDOLXCPFASNV-UHFFFAOYSA-N
Molecular Formula	C9H19BrO

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