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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 – 15 of 17 results
1

(E)-Neochlorogenic Acid, TRC

CAS: 906-33-2 Molecular Formula: C16 H18 O9 Molecular Weight (g/mol): 354.31 Synonym: Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1R,3R,4S,5R)-,Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1R,3R,4S,5R)- (9CI),Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1R-[1alpha,3alpha(E),4alpha,5beta]]-,Neochlorogenic acid (6CI,8CI),(1R,3R,4S,5R)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid,(E)-Neochlorogenic acid,3-O-(E)-Caffeoylquinic acid,5-(E)-Caffeoylquinic acid,5-Caffeoylquinic acid,5-O-Caffeolyquinic acid,5-O-Caffeoylquinic acid,trans-5-O-Caffeoylquinic acid IUPAC Name: (1R,3R,4S,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\c2ccc(O)c(O)c2)[C@H]1O)C(=O)O

CAS 906-33-2
Molecular Weight (g/mol) 354.31
SMILES O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)C(=O)O
Synonym Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1R,3R,4S,5R)-,Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1R,3R,4S,5R)- (9CI),Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1R-[1alpha,3alpha(E),4alpha,5beta]]-,Neochlorogenic acid (6CI,8CI),(1R,3R,4S,5R)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid,(E)-Neochlorogenic acid,3-O-(E)-Caffeoylquinic acid,5-(E)-Caffeoylquinic acid,5-Caffeoylquinic acid,5-O-Caffeolyquinic acid,5-O-Caffeoylquinic acid,trans-5-O-Caffeoylquinic acid
IUPAC Name (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Molecular Formula C16 H18 O9
2

5-O-(E)-Feruloylquinic Acid, TRC

CAS: 62929-69-5 Molecular Formula: C17H20O9 Molecular Weight (g/mol): 368.34 Synonym: [1S-[1alpha,3alpha,4alpha,5beta(E)]]-1,3,4-Trihydroxy-5-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic Acid; IUPAC Name: (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic Acid SMILES: COc1cc(\C=C\C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2O)C(=O)O)ccc1O

CAS 62929-69-5
Molecular Weight (g/mol) 368.34
SMILES COc1cc(\C=C\C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2O)C(=O)O)ccc1O
Synonym [1S-[1alpha,3alpha,4alpha,5beta(E)]]-1,3,4-Trihydroxy-5-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic Acid;
IUPAC Name (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic Acid
Molecular Formula C17H20O9
3

3-O-(E)-Feruloylquinic Acid, TRC

CAS: 87099-72-7 Molecular Formula: C17H20O9 Molecular Weight (g/mol): 368.34 Synonym: trans-3-O-Feruloyl Quinic Acid; IUPAC Name: (1R,3R,4S,5R)-1,3,4-Trihydroxy-5-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-Cyclohexanecarboxylic Acid SMILES: O[C@@]1(C(O)=O)C[C@@H](OC(/C=C/C2=CC=C(O)C(OC)=C2)=O)[C@@H](O)[C@H](O)C1

CAS 87099-72-7
Molecular Weight (g/mol) 368.34
SMILES O[C@@]1(C(O)=O)C[C@@H](OC(/C=C/C2=CC=C(O)C(OC)=C2)=O)[C@@H](O)[C@H](O)C1
Synonym trans-3-O-Feruloyl Quinic Acid;
IUPAC Name (1R,3R,4S,5R)-1,3,4-Trihydroxy-5-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-Cyclohexanecarboxylic Acid
Molecular Formula C17H20O9
4
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Thermo Scientific Chemicals Ergosterol, 98%

CAS: 57-87-4 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.64 MDL Number: MFCD00003623 InChI Key: DNVPQKQSNYMLRS-APGDWVJJSA-N Synonym: ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e PubChem CID: 444679 ChEBI: CHEBI:16933 IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C

EDGE
PubChem CID 444679
CAS 57-87-4
Molecular Weight (g/mol) 396.64
ChEBI CHEBI:16933
MDL Number MFCD00003623
SMILES CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
Synonym ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e
IUPAC Name (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI Key DNVPQKQSNYMLRS-APGDWVJJSA-N
Molecular Formula C28H44O
5

1-(6-Methoxy-2-naphthyl)ethanol, 98%

CAS: 77301-42-9 Molecular Formula: C13H14O2 Molecular Weight (g/mol): 202.25 MDL Number: MFCD01632581 InChI Key: OUVJWFRUESFCCY-SECBINFHSA-N Synonym: 1-6-methoxy-2-naphthyl ethanol,1-6-methoxynaphthalen-2-yl ethanol,1-6'-methoxy-2-naphthyl ethanol,+/--1-6-methoxynaphthyl ethanol,2-1-hydroxyethyl-6-methoxynaphthalene,1-6-methoxynaphthalen-2-yl ethan-1-ol,6-methoxy-alpha-methyl-2-naphthalenemethanol,1rs-1-6-methoxy-2-naphthyl ethanol naproxen impurity k,1-6-methoxy-2-naphthyl ethan-1-ol,naproxen impurity k PubChem CID: 575523 SMILES: COC1=CC=C2C=C(C=CC2=C1)[C@@H](C)O

PubChem CID 575523
CAS 77301-42-9
Molecular Weight (g/mol) 202.25
MDL Number MFCD01632581
SMILES COC1=CC=C2C=C(C=CC2=C1)[C@@H](C)O
Synonym 1-6-methoxy-2-naphthyl ethanol,1-6-methoxynaphthalen-2-yl ethanol,1-6'-methoxy-2-naphthyl ethanol,+/--1-6-methoxynaphthyl ethanol,2-1-hydroxyethyl-6-methoxynaphthalene,1-6-methoxynaphthalen-2-yl ethan-1-ol,6-methoxy-alpha-methyl-2-naphthalenemethanol,1rs-1-6-methoxy-2-naphthyl ethanol naproxen impurity k,1-6-methoxy-2-naphthyl ethan-1-ol,naproxen impurity k
InChI Key OUVJWFRUESFCCY-SECBINFHSA-N
Molecular Formula C13H14O2
7

cis-2-Penten-1-ol, 97%, remainder mainly trans-isomer

CAS: 1576-95-0 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00063208 InChI Key: BTSIZIIPFNVMHF-ARJAWSKDSA-N Synonym: cis-2-penten-1-ol,z-pent-2-en-1-ol,z-2-penten-1-ol,2-penten-1-ol, z,e-2-penten-1-ol,unii-qnc2nb53mj,2z-penten-1-ol,cis-2-pentenol,qnc2nb53mj,pent-2 e-enol PubChem CID: 5364919 SMILES: CC\C=C/CO

PubChem CID 5364919
CAS 1576-95-0
Molecular Weight (g/mol) 86.13
MDL Number MFCD00063208
SMILES CC\C=C/CO
Synonym cis-2-penten-1-ol,z-pent-2-en-1-ol,z-2-penten-1-ol,2-penten-1-ol, z,e-2-penten-1-ol,unii-qnc2nb53mj,2z-penten-1-ol,cis-2-pentenol,qnc2nb53mj,pent-2 e-enol
InChI Key BTSIZIIPFNVMHF-ARJAWSKDSA-N
Molecular Formula C5H10O
9

Chlorogenic acid

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

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
10

1,2-Ethylene Glycol (Ethylene Glycol), TRC

CAS: 107-21-1 Molecular Formula: C2 H6 O2 Molecular Weight (g/mol): 62.07 Synonym: Ethylene Glycol,Ethan-1,2-diol,1,2-Ethanediol (9CI, ACI),Ethylene glycol (8CI),Glycol (6CI, 7CI),1,2-Dihydroxyethane,1,2-Ethylene glycol,146AR,2-Hydroxyethanol,Dowtherm SR 1,E 0105,E 600,E 600 (glycol),Ethylene alcohol,Ethylene dihydrate,Fridex,Glycol alcohol,Glysantin G 34,Glysil GS,Macrogol 400 BPC,MEG 100,MeSH ID: D019855,Monoethylene glycol,Norkool,NSC 93876,Ramp,SR 01,Tescol,Ucar 17,Union Carbide XL 54 Type I De-icing Fluid,Zerex IUPAC Name: ethane-1,2-diol SMILES: OCCO

CAS 107-21-1
Molecular Weight (g/mol) 62.07
SMILES OCCO
Synonym Ethylene Glycol,Ethan-1,2-diol,1,2-Ethanediol (9CI, ACI),Ethylene glycol (8CI),Glycol (6CI, 7CI),1,2-Dihydroxyethane,1,2-Ethylene glycol,146AR,2-Hydroxyethanol,Dowtherm SR 1,E 0105,E 600,E 600 (glycol),Ethylene alcohol,Ethylene dihydrate,Fridex,Glycol alcohol,Glysantin G 34,Glysil GS,Macrogol 400 BPC,MEG 100,MeSH ID: D019855,Monoethylene glycol,Norkool,NSC 93876,Ramp,SR 01,Tescol,Ucar 17,Union Carbide XL 54 Type I De-icing Fluid,Zerex
IUPAC Name ethane-1,2-diol
Molecular Formula C2 H6 O2
11

Nerolidol, cis + trans, 97+%

CAS: 7212-44-4 Molecular Formula: C15H26O Molecular Weight (g/mol): 222.37 MDL Number: MFCD00008911,MFCD00008911,MFCD00008911,MFCD00085350 InChI Key: FQTLCLSUCSAZDY-SDNWHVSQNA-N Synonym: 3r,6e-nerolidol,unii-uoc0644v25,3r-6e-nerolidol,nerolidol,3r,6e-3,7,11-trimethyldodeca-1,6,10-trien-3-ol,e-nerolidol,1,6,10-dodecatrien-3-ol, 3,7,11-trimethyl-, 3r,6e,nerolidol, 6e--,--nerolidol,?-nerolidol PubChem CID: 11241545 ChEBI: CHEBI:59959 SMILES: CC(C)=CCC\C(C)=C\CCC(C)(O)C=C

PubChem CID 11241545
CAS 7212-44-4
Molecular Weight (g/mol) 222.37
ChEBI CHEBI:59959
MDL Number MFCD00008911,MFCD00008911,MFCD00008911,MFCD00085350
SMILES CC(C)=CCC\C(C)=C\CCC(C)(O)C=C
Synonym 3r,6e-nerolidol,unii-uoc0644v25,3r-6e-nerolidol,nerolidol,3r,6e-3,7,11-trimethyldodeca-1,6,10-trien-3-ol,e-nerolidol,1,6,10-dodecatrien-3-ol, 3,7,11-trimethyl-, 3r,6e,nerolidol, 6e--,--nerolidol,?-nerolidol
InChI Key FQTLCLSUCSAZDY-SDNWHVSQNA-N
Molecular Formula C15H26O
12
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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

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
13

Ergosterol, 96%, may cont. up to ca 6% water

CAS: 57-87-4 Molecular Formula: C28H44O MDL Number: MFCD00003623 InChI Key: DNVPQKQSNYMLRS-APGDWVJJSA-N PubChem CID: 444679 ChEBI: CHEBI:16933

PubChem CID 444679
CAS 57-87-4
ChEBI CHEBI:16933
MDL Number MFCD00003623
InChI Key DNVPQKQSNYMLRS-APGDWVJJSA-N
Molecular Formula C28H44O
15

(R)-(+)-3-chloro-1-phenyl-1-propanol, 97%

CAS: 100306-33-0 Molecular Formula: C9H11ClO Molecular Weight (g/mol): 170.64 InChI Key: JZFUHAGLMZWKTF-SECBINFHSA-N Synonym: r-3-chloro-1-phenylpropan-1-ol,r-+-3-chloro-1-phenyl-1-propanol,r-+-3-chloro-1-phenylpropanol,1r-3-chloro-1-phenylpropan-1-ol,1r-3-chloro-1-phenyl-propan-1-ol,r-3-chloro-1-phenyl-1-propanol,r-3-chloro-1-phenyl-propan-1-ol,r-3-chloro-1-phenylpropanol,pubchem5738 PubChem CID: 642409 IUPAC Name: (1R)-3-chloro-1-phenylpropan-1-ol SMILES: C1=CC=C(C=C1)C(CCCl)O

PubChem CID 642409
CAS 100306-33-0
Molecular Weight (g/mol) 170.64
SMILES C1=CC=C(C=C1)C(CCCl)O
Synonym r-3-chloro-1-phenylpropan-1-ol,r-+-3-chloro-1-phenyl-1-propanol,r-+-3-chloro-1-phenylpropanol,1r-3-chloro-1-phenylpropan-1-ol,1r-3-chloro-1-phenyl-propan-1-ol,r-3-chloro-1-phenyl-1-propanol,r-3-chloro-1-phenyl-propan-1-ol,r-3-chloro-1-phenylpropanol,pubchem5738
IUPAC Name (1R)-3-chloro-1-phenylpropan-1-ol
InChI Key JZFUHAGLMZWKTF-SECBINFHSA-N
Molecular Formula C9H11ClO