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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Cholesterol, 95%, Thermo Scientific Chemicals

CAS: 57-88-5 Molecular Formula: C27H46O Molecular Weight (g/mol): 386.664 MDL Number: MFCD00003646 InChI Key: HVYWMOMLDIMFJA-DPAQBDIFSA-N Synonym: cholesterol,cholesterin,cholest-5-en-3beta-ol,cholesteryl alcohol,cholestrin,cordulan,dusoline,dusoran,provitamin d,cholesterine PubChem CID: 5997 ChEBI: CHEBI:16113 IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

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PubChem CID	5997
CAS	57-88-5
Molecular Weight (g/mol)	386.664
ChEBI	CHEBI:16113
MDL Number	MFCD00003646
SMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Synonym	cholesterol,cholesterin,cholest-5-en-3beta-ol,cholesteryl alcohol,cholestrin,cordulan,dusoline,dusoran,provitamin d,cholesterine
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI Key	HVYWMOMLDIMFJA-DPAQBDIFSA-N
Molecular Formula	C27H46O

Deoxycholic acid, 99%, Thermo Scientific Chemicals

CAS: 83-44-3 Molecular Formula: C24H40O4 Molecular Weight (g/mol): 392.58 MDL Number: MFCD00003673 InChI Key: KXGVEGMKQFWNSR-LLQZFEROSA-N Synonym: deoxycholic acid,deoxycholate,desoxycholic acid,choleic acid,cholerebic,cholorebic,degalol,deoxycholatic acid,droxolan,pyrochol PubChem CID: 222528 ChEBI: CHEBI:28834 IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C

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PubChem CID	222528
CAS	83-44-3
Molecular Weight (g/mol)	392.58
ChEBI	CHEBI:28834
MDL Number	MFCD00003673
SMILES	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C
Synonym	deoxycholic acid,deoxycholate,desoxycholic acid,choleic acid,cholerebic,cholorebic,degalol,deoxycholatic acid,droxolan,pyrochol
IUPAC Name	(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI Key	KXGVEGMKQFWNSR-LLQZFEROSA-N
Molecular Formula	C24H40O4

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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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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

4-Pyridinepropanol, Thermo Scientific Chemicals

CAS: 2629-72-3 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 InChI Key: PZVZGDBCMQBRMA-UHFFFAOYSA-N IUPAC Name: 3-(pyridin-4-yl)propan-1-ol SMILES: OCCCC1=CC=NC=C1

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CAS	2629-72-3
Molecular Weight (g/mol)	137.18
SMILES	OCCCC1=CC=NC=C1
IUPAC Name	3-(pyridin-4-yl)propan-1-ol
InChI Key	PZVZGDBCMQBRMA-UHFFFAOYSA-N
Molecular Formula	C8H11NO

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Cyclopentanemethanol, 98%, Thermo Scientific™

CAS: 3637-61-4 Molecular Formula: C₆H₁₂O Molecular Weight (g/mol): 100.16 MDL Number: MFCD00001384 InChI Key: ISQVBYGGNVVVHB-UHFFFAOYSA-N Synonym: cyclopentanemethanol,cyclopentyl-methanol,cyclopentylcarbinol,cyclopentylmethyl alcohol,cyclopentanmethanol,cylcopentanemethanol,cyclopentan-methanol,cyclopentyl methanol,cyclopentyl carbinol,cyclo-pentanemethanol PubChem CID: 77195 IUPAC Name: cyclopentylmethanol SMILES: C1CCC(C1)CO

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PubChem CID	77195
CAS	3637-61-4
Molecular Weight (g/mol)	100.16
MDL Number	MFCD00001384
SMILES	C1CCC(C1)CO
Synonym	cyclopentanemethanol,cyclopentyl-methanol,cyclopentylcarbinol,cyclopentylmethyl alcohol,cyclopentanmethanol,cylcopentanemethanol,cyclopentan-methanol,cyclopentyl methanol,cyclopentyl carbinol,cyclo-pentanemethanol
IUPAC Name	cyclopentylmethanol
InChI Key	ISQVBYGGNVVVHB-UHFFFAOYSA-N
Molecular Formula	C₆H₁₂O

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Pregnenolone, 99%, Thermo Scientific Chemicals

CAS: 145-13-1 Molecular Formula: C₂₁H₃₂O₂ Molecular Weight (g/mol): 316.47 MDL Number: MFCD00003628 InChI Key: ORNBQBCIOKFOEO-OYZZJKLHSA-N Synonym: 3-hydroxypregn-5-en-20-one PubChem CID: 44307923 IUPAC Name: 1-[(10R,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

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PubChem CID	44307923
CAS	145-13-1
Molecular Weight (g/mol)	316.47
MDL Number	MFCD00003628
SMILES	CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Synonym	3-hydroxypregn-5-en-20-one
IUPAC Name	1-[(10R,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
InChI Key	ORNBQBCIOKFOEO-OYZZJKLHSA-N
Molecular Formula	C₂₁H₃₂O₂

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3-Hydroxyazetidine, 95%, Thermo Scientific Chemicals

CAS: 45347-82-8 Molecular Formula: C3H7NO Molecular Weight (g/mol): 73.10 MDL Number: MFCD03695446 InChI Key: GMWFCJXSQQHBPI-UHFFFAOYSA-N IUPAC Name: azetidin-3-ol SMILES: OC1CNC1

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Specifications

CAS	45347-82-8
Molecular Weight (g/mol)	73.10
MDL Number	MFCD03695446
SMILES	OC1CNC1
IUPAC Name	azetidin-3-ol
InChI Key	GMWFCJXSQQHBPI-UHFFFAOYSA-N
Molecular Formula	C3H7NO

6-Quinolinylmethanol, 97%, Thermo Scientific™

CAS: 100516-88-9 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD03789621 InChI Key: YQEJIIUSNDZIGO-UHFFFAOYSA-N Synonym: 6-quinolinylmethanol,6-quinolinemethanol,6-hydroxymethylquinoline,quinolin-6-yl methanol,6-quinolylmethanol,pubchem12427,quinolin-6-yl-methanol,6-hydroxymethyl quinoline,6-hydroxymethyl-quinoline PubChem CID: 1514385 IUPAC Name: quinolin-6-ylmethanol SMILES: C1=CC2=C(C=CC(=C2)CO)N=C1

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PubChem CID	1514385
CAS	100516-88-9
Molecular Weight (g/mol)	159.188
MDL Number	MFCD03789621
SMILES	C1=CC2=C(C=CC(=C2)CO)N=C1
Synonym	6-quinolinylmethanol,6-quinolinemethanol,6-hydroxymethylquinoline,quinolin-6-yl methanol,6-quinolylmethanol,pubchem12427,quinolin-6-yl-methanol,6-hydroxymethyl quinoline,6-hydroxymethyl-quinoline
IUPAC Name	quinolin-6-ylmethanol
InChI Key	YQEJIIUSNDZIGO-UHFFFAOYSA-N
Molecular Formula	C10H9NO

2-Pyrazinylmethanol, 97%, Thermo Scientific™

CAS: 6705-33-5 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01693938 InChI Key: LFCWHDGQCWJKCG-UHFFFAOYSA-N Synonym: 2-pyrazinylmethanol,pyrazin-2-yl methanol,pyrazinemethanol,2-hydroxymethyl pyrazine,2-pyrazinemethanol,2-hydroxymethylpyrazine,pyrazin-2-yl-methanol,unii-c27z7qi77d,pyrazin-2-ylmethan-1-ol PubChem CID: 201734 SMILES: OCC1=CN=CC=N1

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PubChem CID	201734
CAS	6705-33-5
Molecular Weight (g/mol)	110.12
MDL Number	MFCD01693938
SMILES	OCC1=CN=CC=N1
Synonym	2-pyrazinylmethanol,pyrazin-2-yl methanol,pyrazinemethanol,2-hydroxymethyl pyrazine,2-pyrazinemethanol,2-hydroxymethylpyrazine,pyrazin-2-yl-methanol,unii-c27z7qi77d,pyrazin-2-ylmethan-1-ol
InChI Key	LFCWHDGQCWJKCG-UHFFFAOYSA-N
Molecular Formula	C5H6N2O

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1-Methylcycloheptanol, 98%, Thermo Scientific Chemicals

CAS: 3761-94-2 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00021672 InChI Key: XFFKAYOHINCUNU-UHFFFAOYSA-N Synonym: 1-methylcycloheptanol,cycloheptanol, 1-methyl,1-methylcycloheptanol-1,1-methyl-cycloheptanol,methylcycloheptanol-1,1-methyl cycloheptanol,cycloheptanol,1-methyl PubChem CID: 77376 IUPAC Name: 1-methylcycloheptan-1-ol SMILES: CC1(CCCCCC1)O

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Specifications

PubChem CID	77376
CAS	3761-94-2
Molecular Weight (g/mol)	128.215
MDL Number	MFCD00021672
SMILES	CC1(CCCCCC1)O
Synonym	1-methylcycloheptanol,cycloheptanol, 1-methyl,1-methylcycloheptanol-1,1-methyl-cycloheptanol,methylcycloheptanol-1,1-methyl cycloheptanol,cycloheptanol,1-methyl
IUPAC Name	1-methylcycloheptan-1-ol
InChI Key	XFFKAYOHINCUNU-UHFFFAOYSA-N
Molecular Formula	C8H16O

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1-Ethylcyclopentanol, 96%, Thermo Scientific Chemicals

CAS: 1462-96-0 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00019281 InChI Key: LPCWIFPJLFCXRS-UHFFFAOYSA-N Synonym: 1-ethylcyclopentanol,cyclopentanol, 1-ethyl,1-ethyl-1-cyclopentanol,acmc-1bzot,ksc181q7f,1-ethyl-1-hydroxycyclopentane PubChem CID: 137018 IUPAC Name: 1-ethylcyclopentan-1-ol SMILES: CCC1(CCCC1)O

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PubChem CID	137018
CAS	1462-96-0
Molecular Weight (g/mol)	114.188
MDL Number	MFCD00019281
SMILES	CCC1(CCCC1)O
Synonym	1-ethylcyclopentanol,cyclopentanol, 1-ethyl,1-ethyl-1-cyclopentanol,acmc-1bzot,ksc181q7f,1-ethyl-1-hydroxycyclopentane
IUPAC Name	1-ethylcyclopentan-1-ol
InChI Key	LPCWIFPJLFCXRS-UHFFFAOYSA-N
Molecular Formula	C7H14O

Ursodeoxycholic acid, 99%, Thermo Scientific Chemicals

CAS: 128-13-2 Molecular Formula: C24H40O4 Molecular Weight (g/mol): 392.58 MDL Number: MFCD00003680 InChI Key: RUDATBOHQWOJDD-UZVSRGJWSA-N Synonym: ursodeoxycholic acid,ursodiol,actigall,ursofalk,ursolvan,delursan,ursodeoxycholate,urso,urso forte,ursodesoxycholic acid PubChem CID: 31401 ChEBI: CHEBI:9907 IUPAC Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C

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PubChem CID	31401
CAS	128-13-2
Molecular Weight (g/mol)	392.58
ChEBI	CHEBI:9907
MDL Number	MFCD00003680
SMILES	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
Synonym	ursodeoxycholic acid,ursodiol,actigall,ursofalk,ursolvan,delursan,ursodeoxycholate,urso,urso forte,ursodesoxycholic acid
IUPAC Name	(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI Key	RUDATBOHQWOJDD-UZVSRGJWSA-N
Molecular Formula	C24H40O4

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1,2,4-Butanetriol, 96%, Thermo Scientific Chemicals

CAS: 3068-00-6 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.121 MDL Number: MFCD00002929 InChI Key: ARXKVVRQIIOZGF-UHFFFAOYSA-N Synonym: 1,2,4-butanetriol,2-deoxyerythritol,1,3,4-butanetriol,triol 124,1,2,4-trihydroxybutane,1,2,4-butantriol,1,2,4-butantriol german,+/--1,2,4-butanetriol,2-deoxyerthritol,dialkylenethiourea PubChem CID: 18302 IUPAC Name: butane-1,2,4-triol SMILES: C(CO)C(CO)O

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Specifications

PubChem CID	18302
CAS	3068-00-6
Molecular Weight (g/mol)	106.121
MDL Number	MFCD00002929
SMILES	C(CO)C(CO)O
Synonym	1,2,4-butanetriol,2-deoxyerythritol,1,3,4-butanetriol,triol 124,1,2,4-trihydroxybutane,1,2,4-butantriol,1,2,4-butantriol german,+/--1,2,4-butanetriol,2-deoxyerthritol,dialkylenethiourea
IUPAC Name	butane-1,2,4-triol
InChI Key	ARXKVVRQIIOZGF-UHFFFAOYSA-N
Molecular Formula	C4H10O3

1-Benzofuran-5-ylmethanol, Thermo Scientific™

CAS: 31823-05-9 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD04115373 InChI Key: XSLXZYDPOMAXTM-UHFFFAOYSA-N Synonym: benzofuran-5-ylmethanol,5-benzofuranmethanol,5-hydroxymethylbenzofuran,pubchem7026,5-hydroxymethyl-benzofuran,5-hydroxymethylbenzo b furan,benzofuran-5-methanol,1-benzofuran-5-yl methanol,1-benzo b furan-5-ylmethanol,benzo b furan-5-ylmethan-1-ol PubChem CID: 2795179 IUPAC Name: 1-benzofuran-5-ylmethanol SMILES: OCC1=CC=C2OC=CC2=C1

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Specifications

PubChem CID	2795179
CAS	31823-05-9
Molecular Weight (g/mol)	148.16
MDL Number	MFCD04115373
SMILES	OCC1=CC=C2OC=CC2=C1
Synonym	benzofuran-5-ylmethanol,5-benzofuranmethanol,5-hydroxymethylbenzofuran,pubchem7026,5-hydroxymethyl-benzofuran,5-hydroxymethylbenzo b furan,benzofuran-5-methanol,1-benzofuran-5-yl methanol,1-benzo b furan-5-ylmethanol,benzo b furan-5-ylmethan-1-ol
IUPAC Name	1-benzofuran-5-ylmethanol
InChI Key	XSLXZYDPOMAXTM-UHFFFAOYSA-N
Molecular Formula	C9H8O2

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Indole-4-methanol, 97%, Thermo Scientific™

CAS: 1074-85-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD01632220 InChI Key: BVSGXWCTWBZFEV-UHFFFAOYSA-N Synonym: indole-4-methanol,1h-indol-4-yl methanol,1h-indole-4-methanol,4-hydroxymethylindole,4-hydroxymethyl-1h-indole,indol-4-ylmethan-1-ol,pubchem7973,4-hydroxymethyl indole,4-hydroxymethyl-indole,acmc-2098wi PubChem CID: 2773457 IUPAC Name: 1H-indol-4-ylmethanol SMILES: OCC1=C2C=CNC2=CC=C1

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Specifications

PubChem CID	2773457
CAS	1074-85-7
Molecular Weight (g/mol)	147.18
MDL Number	MFCD01632220
SMILES	OCC1=C2C=CNC2=CC=C1
Synonym	indole-4-methanol,1h-indol-4-yl methanol,1h-indole-4-methanol,4-hydroxymethylindole,4-hydroxymethyl-1h-indole,indol-4-ylmethan-1-ol,pubchem7973,4-hydroxymethyl indole,4-hydroxymethyl-indole,acmc-2098wi
IUPAC Name	1H-indol-4-ylmethanol
InChI Key	BVSGXWCTWBZFEV-UHFFFAOYSA-N
Molecular Formula	C9H9NO

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