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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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

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

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

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

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

Riboflavin, 97%, Electrophoresis Grade

CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N Synonym: riboflavin,vitamin b2,lactoflavin,riboflavine,vitamin g,lactoflavine,--riboflavin,beflavin,beflavine,flavaxin PubChem CID: 71310809 IUPAC Name: 7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1

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Specifications

PubChem CID	71310809
CAS	83-88-5
Molecular Weight (g/mol)	376.37
MDL Number	MFCD00005022
SMILES	CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
Synonym	riboflavin,vitamin b2,lactoflavin,riboflavine,vitamin g,lactoflavine,--riboflavin,beflavin,beflavine,flavaxin
IUPAC Name	7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione
InChI Key	AUNGANRZJHBGPY-QTZZOOGMNA-N
Molecular Formula	C17H20N4O6

1-Adamantanemethanol, 99%

CAS: 770-71-8 Molecular Formula: C₁₁H₁₈O Molecular Weight (g/mol): 166.26 MDL Number: MFCD00074751 InChI Key: MDVGOOIANLZFCP-UHFFFAOYSA-N Synonym: 1-adamantanemethanol,adamantan-1-ylmethanol,1-adamantane methanol,1-hydroxymethyl adamantane,adamantane-1-methanol,adamantan-1-yl-methanol,1-hydroxymethyladamantane,tricyclo 3.3.1.1'3,7 dec-1-ylmethanol,adamantan-1-yl methanol,tricyclo 3.3.1.13,7 decanemethanol PubChem CID: 64556 IUPAC Name: 1-adamantylmethanol SMILES: C1C2CC3CC1CC(C2)(C3)CO

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Specifications

PubChem CID	64556
CAS	770-71-8
Molecular Weight (g/mol)	166.26
MDL Number	MFCD00074751
SMILES	C1C2CC3CC1CC(C2)(C3)CO
Synonym	1-adamantanemethanol,adamantan-1-ylmethanol,1-adamantane methanol,1-hydroxymethyl adamantane,adamantane-1-methanol,adamantan-1-yl-methanol,1-hydroxymethyladamantane,tricyclo 3.3.1.1'3,7 dec-1-ylmethanol,adamantan-1-yl methanol,tricyclo 3.3.1.13,7 decanemethanol
IUPAC Name	1-adamantylmethanol
InChI Key	MDVGOOIANLZFCP-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₈O

Ethyl glycolate, 95%

CAS: 623-50-7 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00021970 InChI Key: ZANNOFHADGWOLI-UHFFFAOYSA-N Synonym: ethyl glycolate,ethyl hydroxyacetate,acetic acid, hydroxy-, ethyl ester,glycolic acid, ethyl ester,ethyl glycollate,hydroxyacetic acid ethyl ester,glycolic acid ethyl ester,unii-c306e91wfk,acetic acid, 2-hydroxy-, ethyl ester,2-hydroxyacetic acid ethyl ester PubChem CID: 12184 IUPAC Name: ethyl 2-hydroxyacetate SMILES: CCOC(=O)CO

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PubChem CID	12184
CAS	623-50-7
Molecular Weight (g/mol)	104.11
MDL Number	MFCD00021970
SMILES	CCOC(=O)CO
Synonym	ethyl glycolate,ethyl hydroxyacetate,acetic acid, hydroxy-, ethyl ester,glycolic acid, ethyl ester,ethyl glycollate,hydroxyacetic acid ethyl ester,glycolic acid ethyl ester,unii-c306e91wfk,acetic acid, 2-hydroxy-, ethyl ester,2-hydroxyacetic acid ethyl ester
IUPAC Name	ethyl 2-hydroxyacetate
InChI Key	ZANNOFHADGWOLI-UHFFFAOYSA-N
Molecular Formula	C4H8O3

2-Ethyl-1-butanol, 99%

CAS: 97-95-0 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00004744 InChI Key: TZYRSLHNPKPEFV-UHFFFAOYSA-N Synonym: 2-ethyl-1-butanol,1-butanol, 2-ethyl,2-ethylbutanol,2-ethylbutyl alcohol,pseudohexyl alcohol,3-methylolpentane,2-ethylbutanol-1,ethylbutanol,3-pentylcarbinol,sec-pentylcarbinol PubChem CID: 7358 IUPAC Name: 2-ethylbutan-1-ol SMILES: CCC(CC)CO

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Specifications

PubChem CID	7358
CAS	97-95-0
Molecular Weight (g/mol)	102.18
MDL Number	MFCD00004744
SMILES	CCC(CC)CO
Synonym	2-ethyl-1-butanol,1-butanol, 2-ethyl,2-ethylbutanol,2-ethylbutyl alcohol,pseudohexyl alcohol,3-methylolpentane,2-ethylbutanol-1,ethylbutanol,3-pentylcarbinol,sec-pentylcarbinol
IUPAC Name	2-ethylbutan-1-ol
InChI Key	TZYRSLHNPKPEFV-UHFFFAOYSA-N
Molecular Formula	C6H14O

Niobium n-butoxide, 99% (metals basis)

CAS: 51030-47-8 Molecular Formula: C20H50NbO5 Molecular Weight (g/mol): 463.521 MDL Number: MFCD00144916 InChI Key: OMBQVKDAXPUDBD-UHFFFAOYSA-N Synonym: butan-1-ol; niobium,niobium v-n-butoxide PubChem CID: 50912030 IUPAC Name: butan-1-ol;niobium SMILES: CCCCO.CCCCO.CCCCO.CCCCO.CCCCO.[Nb]

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Specifications

PubChem CID	50912030
CAS	51030-47-8
Molecular Weight (g/mol)	463.521
MDL Number	MFCD00144916
SMILES	CCCCO.CCCCO.CCCCO.CCCCO.CCCCO.[Nb]
Synonym	butan-1-ol; niobium,niobium v-n-butoxide
IUPAC Name	butan-1-ol;niobium
InChI Key	OMBQVKDAXPUDBD-UHFFFAOYSA-N
Molecular Formula	C20H50NbO5

3-Ethyl-3-hexanol, 98%, Thermo Scientific Chemicals

CAS: 597-76-2 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00039616 InChI Key: WNDLTOTUHMHNOC-UHFFFAOYSA-N Synonym: 3-ethyl-3-hexanol,3-hexanol, 3-ethyl,1,1-diethyl-1-butanol,diethyl n-propyl carbinol,acmc-1ak6h PubChem CID: 69008 IUPAC Name: 3-ethylhexan-3-ol SMILES: CCCC(O)(CC)CC

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Specifications

PubChem CID	69008
CAS	597-76-2
Molecular Weight (g/mol)	130.23
MDL Number	MFCD00039616
SMILES	CCCC(O)(CC)CC
Synonym	3-ethyl-3-hexanol,3-hexanol, 3-ethyl,1,1-diethyl-1-butanol,diethyl n-propyl carbinol,acmc-1ak6h
IUPAC Name	3-ethylhexan-3-ol
InChI Key	WNDLTOTUHMHNOC-UHFFFAOYSA-N
Molecular Formula	C8H18O

3-Mercapto-1-hexanol, 96%

CAS: 51755-83-0 Molecular Formula: C6H14OS Molecular Weight (g/mol): 134.237 MDL Number: MFCD00792515 InChI Key: TYZFMFVWHZKYSE-UHFFFAOYSA-N Synonym: 3-mercapto-1-hexanol,3-mercaptohexanol,3-mercaptohexan-1-ol,1-hexanol, 3-mercapto,3-thiohexan-1-ol,3-sulphanylhexan-1-ol,3-sulfanyl-1-hexanol,3-thiohexanol,acmc-209kvm,3-mercapto-hexan-1-ol PubChem CID: 521348 ChEBI: CHEBI:77690 IUPAC Name: 3-sulfanylhexan-1-ol SMILES: CCCC(CCO)S

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Specifications

PubChem CID	521348
CAS	51755-83-0
Molecular Weight (g/mol)	134.237
ChEBI	CHEBI:77690
MDL Number	MFCD00792515
SMILES	CCCC(CCO)S
Synonym	3-mercapto-1-hexanol,3-mercaptohexanol,3-mercaptohexan-1-ol,1-hexanol, 3-mercapto,3-thiohexan-1-ol,3-sulphanylhexan-1-ol,3-sulfanyl-1-hexanol,3-thiohexanol,acmc-209kvm,3-mercapto-hexan-1-ol
IUPAC Name	3-sulfanylhexan-1-ol
InChI Key	TYZFMFVWHZKYSE-UHFFFAOYSA-N
Molecular Formula	C6H14OS

Cyclobutanemethanol, 99%

CAS: 4415-82-1 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD00001330 InChI Key: WPOPOPFNZYPKAV-UHFFFAOYSA-N Synonym: cyclobutanemethanol,hydroxymethylcyclobutane,cyclobutylcarbinol,hydroxymethyl cyclobutane,cyclobutyl methanol,cyclobutyl-methanol,cyclobutanecarbinol,cyclobutane carbinol,pubchem23465 PubChem CID: 78130 IUPAC Name: cyclobutylmethanol SMILES: C1CC(C1)CO

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Specifications

PubChem CID	78130
CAS	4415-82-1
Molecular Weight (g/mol)	86.134
MDL Number	MFCD00001330
SMILES	C1CC(C1)CO
Synonym	cyclobutanemethanol,hydroxymethylcyclobutane,cyclobutylcarbinol,hydroxymethyl cyclobutane,cyclobutyl methanol,cyclobutyl-methanol,cyclobutanecarbinol,cyclobutane carbinol,pubchem23465
IUPAC Name	cyclobutylmethanol
InChI Key	WPOPOPFNZYPKAV-UHFFFAOYSA-N
Molecular Formula	C5H10O

1,2-Propanediol, 99%, extra pure

CAS: 57-55-6 Molecular Formula: C₃H₈O₂ Molecular Weight (g/mol): 76.09 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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Specifications

PubChem CID	1030
CAS	57-55-6
Molecular Weight (g/mol)	76.09
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

Desvenlafaxine, 97%

CAS: 93413-62-8 Molecular Formula: C₁₆H₂₅NO₂ Molecular Weight (g/mol): 263.38 InChI Key: KYYIDSXMWOZKMP-UHFFFAOYSA-N Synonym: desvenlafaxine,o-desmethylvenlafaxine,4-2-dimethylamino-1-1-hydroxycyclohexyl ethyl phenol,pristiq,o-desmethyl venlafaxine,desvenlafaxine inn:ban,desvenlafaxine inn,o-desmethylvenlafaxine odv,1-2-dimethylamino-1-4-hydroxyphenyl ethyl cyclohexanol PubChem CID: 125017 ChEBI: CHEBI:83527 IUPAC Name: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol SMILES: CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O

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Specifications

PubChem CID	125017
CAS	93413-62-8
Molecular Weight (g/mol)	263.38
ChEBI	CHEBI:83527
SMILES	CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O
Synonym	desvenlafaxine,o-desmethylvenlafaxine,4-2-dimethylamino-1-1-hydroxycyclohexyl ethyl phenol,pristiq,o-desmethyl venlafaxine,desvenlafaxine inn:ban,desvenlafaxine inn,o-desmethylvenlafaxine odv,1-2-dimethylamino-1-4-hydroxyphenyl ethyl cyclohexanol
IUPAC Name	4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
InChI Key	KYYIDSXMWOZKMP-UHFFFAOYSA-N
Molecular Formula	C₁₆H₂₅NO₂

Alcohols and polyols

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