Organooxygen compounds
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Chlorogenic acid, 99.45%, For HPLC analysis, MP Biomedicals™
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-{[(2E)-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-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI Key | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Molecular Formula | C16H18O9 |
Gossypol-acetic acid
CAS: 12542-36-8 Molecular Formula: C32H34O10 Molecular Weight (g/mol): 578.614 MDL Number: MFCD00058385 InChI Key: NIOHNDKHQHVLKA-UHFFFAOYSA-N Synonym: gossypol-acetic acid,gossypol acetate,gossypol acetic acid,acetate gossypol,--gossypol acetic acid,s-gossypol acetic acid,at-101 acetic acid,gossypol-acetic acid complex PubChem CID: 227456 IUPAC Name: acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde SMILES: CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C.CC(=O)O
| PubChem CID | 227456 |
|---|---|
| CAS | 12542-36-8 |
| Molecular Weight (g/mol) | 578.614 |
| MDL Number | MFCD00058385 |
| SMILES | CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C.CC(=O)O |
| Synonym | gossypol-acetic acid,gossypol acetate,gossypol acetic acid,acetate gossypol,--gossypol acetic acid,s-gossypol acetic acid,at-101 acetic acid,gossypol-acetic acid complex |
| IUPAC Name | acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde |
| InChI Key | NIOHNDKHQHVLKA-UHFFFAOYSA-N |
| Molecular Formula | C32H34O10 |
Cyclobutanol, 96%
CAS: 2919-23-5 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00001318 InChI Key: KTHXBEHDVMTNOH-UHFFFAOYSA-N Synonym: cyclobutyl alcohol,cyclobutyl hydroxide,hydroxycyclobutane,acmc-1cgim,cyclobutanol,cyclobutanol 1g,ksc206s6t,kthxbehdvmtnoh-uhfffaoysa PubChem CID: 76218 IUPAC Name: cyclobutanol SMILES: OC1CCC1
| PubChem CID | 76218 |
|---|---|
| CAS | 2919-23-5 |
| Molecular Weight (g/mol) | 72.11 |
| MDL Number | MFCD00001318 |
| SMILES | OC1CCC1 |
| Synonym | cyclobutyl alcohol,cyclobutyl hydroxide,hydroxycyclobutane,acmc-1cgim,cyclobutanol,cyclobutanol 1g,ksc206s6t,kthxbehdvmtnoh-uhfffaoysa |
| IUPAC Name | cyclobutanol |
| InChI Key | KTHXBEHDVMTNOH-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
(R)-(-)-Phenyl-1,2-ethanediol, 99%, Thermo Scientific Chemicals
CAS: 16355-00-3 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00064262 InChI Key: PWMWNFMRSKOCEY-QMMMGPOBSA-N Synonym: r---1-phenyl-1,2-ethanediol,r-1-phenylethane-1,2-diol,1r-1-phenylethane-1,2-diol,r---1-phenylethane-1,2-diol,r-1-phenyl-1,2-ethanediol,styrene glycol,-,unii-2lzm4b71kf,r-+-1-phenylethane-1,2-diol,2lzm4b71kf PubChem CID: 2724621 IUPAC Name: (1R)-1-phenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(CO)O
| PubChem CID | 2724621 |
|---|---|
| CAS | 16355-00-3 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00064262 |
| SMILES | C1=CC=C(C=C1)C(CO)O |
| Synonym | r---1-phenyl-1,2-ethanediol,r-1-phenylethane-1,2-diol,1r-1-phenylethane-1,2-diol,r---1-phenylethane-1,2-diol,r-1-phenyl-1,2-ethanediol,styrene glycol,-,unii-2lzm4b71kf,r-+-1-phenylethane-1,2-diol,2lzm4b71kf |
| IUPAC Name | (1R)-1-phenylethane-1,2-diol |
| InChI Key | PWMWNFMRSKOCEY-QMMMGPOBSA-N |
| Molecular Formula | C8H10O2 |
DL-6-Methoxy-alpha-methyl-2-naphthalenemethanol, 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 IUPAC Name: 1-(6-methoxynaphthalen-2-yl)ethanol 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 |
| IUPAC Name | 1-(6-methoxynaphthalen-2-yl)ethanol |
| InChI Key | OUVJWFRUESFCCY-SECBINFHSA-N |
| Molecular Formula | C13H14O2 |
1-Methoxy-2-methyl-2-propanol, 98+%
CAS: 3587-64-2 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD03701584 InChI Key: MXUXZWFVAPTPAG-UHFFFAOYSA-N Synonym: 1-methoxy-2-methyl-2-propanol,2-propanol, 1-methoxy-2-methyl,acmc-20aott,2-methoxymethyl-2-propanol,1,1-dimethyl-2-methoxyethanol,2-propanol,1-methoxy-2-methyl,1-methoxy-2-methyl-2-propanol # PubChem CID: 77137 IUPAC Name: 1-methoxy-2-methylpropan-2-ol SMILES: COCC(C)(C)O
| PubChem CID | 77137 |
|---|---|
| CAS | 3587-64-2 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD03701584 |
| SMILES | COCC(C)(C)O |
| Synonym | 1-methoxy-2-methyl-2-propanol,2-propanol, 1-methoxy-2-methyl,acmc-20aott,2-methoxymethyl-2-propanol,1,1-dimethyl-2-methoxyethanol,2-propanol,1-methoxy-2-methyl,1-methoxy-2-methyl-2-propanol # |
| IUPAC Name | 1-methoxy-2-methylpropan-2-ol |
| InChI Key | MXUXZWFVAPTPAG-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
1,2-Propanediol, MilliporeSigma™
CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 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
| PubChem CID | 1030 |
|---|---|
| CAS | 57-55-6 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:16997 |
| 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 |
trans-4-Aminocyclohexanol, 97%
CAS: 27489-62-9 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.17 InChI Key: IMLXLGZJLAOKJN-UHFFFAOYSA-N Synonym: trans-4-aminocyclohexanol,4-aminocyclohexanol,cis-4-aminocyclohexanol,cis-4-amino-cyclohexanol,cyclohexanol, 4-amino-, trans,1r,4r-4-aminocyclohexan-1-ol,cyclohexanol, 4-amino,trans-4-hydroxycyclohexylamine,1r,4r-4-aminocyclohexanol,aminocyclohexanol trans-4 PubChem CID: 81293 IUPAC Name: 4-aminocyclohexan-1-ol SMILES: C1CC(CCC1N)O
| PubChem CID | 81293 |
|---|---|
| CAS | 27489-62-9 |
| Molecular Weight (g/mol) | 115.17 |
| SMILES | C1CC(CCC1N)O |
| Synonym | trans-4-aminocyclohexanol,4-aminocyclohexanol,cis-4-aminocyclohexanol,cis-4-amino-cyclohexanol,cyclohexanol, 4-amino-, trans,1r,4r-4-aminocyclohexan-1-ol,cyclohexanol, 4-amino,trans-4-hydroxycyclohexylamine,1r,4r-4-aminocyclohexanol,aminocyclohexanol trans-4 |
| IUPAC Name | 4-aminocyclohexan-1-ol |
| InChI Key | IMLXLGZJLAOKJN-UHFFFAOYSA-N |
| Molecular Formula | C6H13NO |
Dihydromyrcenol, 99.1%, MP Biomedicals™
CAS: 18479-58-8 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00004474 InChI Key: XSNQECSCDATQEL-UHFFFAOYSA-N Synonym: dihydromyrcenol,2,6-dimethyl-7-octen-2-ol,7-octen-2-ol, 2,6-dimethyl,1,1,5-trimethyl-6-heptenol,1-2,6-dimethyloct-7-en-2-ol,dsstox_cid_9317,myrcenol, 6,10-dihydro,dsstox_rid_78761 PubChem CID: 29096 ChEBI: CHEBI:87528 IUPAC Name: 2,6-dimethyloct-7-en-2-ol SMILES: CC(CCCC(C)(C)O)C=C
| PubChem CID | 29096 |
|---|---|
| CAS | 18479-58-8 |
| Molecular Weight (g/mol) | 156.269 |
| ChEBI | CHEBI:87528 |
| MDL Number | MFCD00004474 |
| SMILES | CC(CCCC(C)(C)O)C=C |
| Synonym | dihydromyrcenol,2,6-dimethyl-7-octen-2-ol,7-octen-2-ol, 2,6-dimethyl,1,1,5-trimethyl-6-heptenol,1-2,6-dimethyloct-7-en-2-ol,dsstox_cid_9317,myrcenol, 6,10-dihydro,dsstox_rid_78761 |
| IUPAC Name | 2,6-dimethyloct-7-en-2-ol |
| InChI Key | XSNQECSCDATQEL-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |
1-Adamantanol, 99%
CAS: 768-95-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00074729 InChI Key: VLLNJDMHDJRNFK-UHFFFAOYSA-N Synonym: 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol PubChem CID: 64152 IUPAC Name: adamantan-1-ol SMILES: C1C2CC3CC1CC(C2)(C3)O
| PubChem CID | 64152 |
|---|---|
| CAS | 768-95-6 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00074729 |
| SMILES | C1C2CC3CC1CC(C2)(C3)O |
| Synonym | 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol |
| IUPAC Name | adamantan-1-ol |
| InChI Key | VLLNJDMHDJRNFK-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |
2-Adamantanol, 98%
CAS: 700-57-2 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00074744 InChI Key: FOWDOWQYRZXQDP-UHFFFAOYSA-N Synonym: 2-adamantanol,2-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-2-ol,tricyclo 3.3.1.1∼3,7∼ decan-2-ol,1r,3r,5r,7r-adamantan-2-ol,1-adamantanol;,2alpha-adamantanol,pubchem8753 PubChem CID: 64149 IUPAC Name: adamantan-2-ol SMILES: C1C2CC3CC1CC(C2)C3O
| PubChem CID | 64149 |
|---|---|
| CAS | 700-57-2 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00074744 |
| SMILES | C1C2CC3CC1CC(C2)C3O |
| Synonym | 2-adamantanol,2-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-2-ol,tricyclo 3.3.1.1∼3,7∼ decan-2-ol,1r,3r,5r,7r-adamantan-2-ol,1-adamantanol;,2alpha-adamantanol,pubchem8753 |
| IUPAC Name | adamantan-2-ol |
| InChI Key | FOWDOWQYRZXQDP-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |
3,4-Dichlorophenethyl alcohol, 97%
CAS: 35364-79-5 Molecular Formula: C8H8Cl2O Molecular Weight (g/mol): 191.051 MDL Number: MFCD00800673 InChI Key: GITOMJDYNUMCOV-UHFFFAOYSA-N Synonym: 2-3,4-dichlorophenyl ethanol,3,4-dichlorophenethyl alcohol,3,4-dichlorophenethylalcohol,2-3,4-dichlorophenyl ethan-1-ol,benzeneethanol, 3,4-dichloro,2-3,4-dichlorophenyl-ethanol,3,4-dichlorobenzeneethanol,benzeneethanol,3,4-dichloro,acmc-1adlk,2-3,4-dichloro-phenyl-ethanol PubChem CID: 244558 IUPAC Name: 2-(3,4-dichlorophenyl)ethanol SMILES: C1=CC(=C(C=C1CCO)Cl)Cl
| PubChem CID | 244558 |
|---|---|
| CAS | 35364-79-5 |
| Molecular Weight (g/mol) | 191.051 |
| MDL Number | MFCD00800673 |
| SMILES | C1=CC(=C(C=C1CCO)Cl)Cl |
| Synonym | 2-3,4-dichlorophenyl ethanol,3,4-dichlorophenethyl alcohol,3,4-dichlorophenethylalcohol,2-3,4-dichlorophenyl ethan-1-ol,benzeneethanol, 3,4-dichloro,2-3,4-dichlorophenyl-ethanol,3,4-dichlorobenzeneethanol,benzeneethanol,3,4-dichloro,acmc-1adlk,2-3,4-dichloro-phenyl-ethanol |
| IUPAC Name | 2-(3,4-dichlorophenyl)ethanol |
| InChI Key | GITOMJDYNUMCOV-UHFFFAOYSA-N |
| Molecular Formula | C8H8Cl2O |
Diacetin, mixed isomers, tech. ca 50%, remainder triacetin and monoacetin
CAS: 25395-31-7 Molecular Formula: C7H12O5 MDL Number: MFCD00008717 Synonym: glyceryl diacetate,1,2-diacetin,glycerol diacetate,1,2,3-propanetriol, diacetate,3-hydroxypropane-1,2-diyl diacetate,glycerol 1,2-diacetate,1,2-diacylglycerol,2,3-diacetin,1,2-diacetylglycerol,acetin, di
| CAS | 25395-31-7 |
|---|---|
| MDL Number | MFCD00008717 |
| Synonym | glyceryl diacetate,1,2-diacetin,glycerol diacetate,1,2,3-propanetriol, diacetate,3-hydroxypropane-1,2-diyl diacetate,glycerol 1,2-diacetate,1,2-diacylglycerol,2,3-diacetin,1,2-diacetylglycerol,acetin, di |
| Molecular Formula | C7H12O5 |
(R)-4-(1-Hydroxyethyl)pyridine, 99+%, (99+% ee), Thermo Scientific™
CAS: 27854-88-2 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00077865 InChI Key: HVOAMIOKNARIMR-ZCFIWIBFSA-N Synonym: r-1-pyridin-4-yl ethanol,r-+-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethan-1-ol,r-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethanol,r-4-1-hydroxyethyl pyridine,1r-1-pyridin-4-ylethanol,r-1-pyridin-4-yl-ethanol,1r-1-4-pyridyl ethanol PubChem CID: 11804747 IUPAC Name: (1R)-1-pyridin-4-ylethanol SMILES: CC(C1=CC=NC=C1)O
| PubChem CID | 11804747 |
|---|---|
| CAS | 27854-88-2 |
| Molecular Weight (g/mol) | 123.15 |
| MDL Number | MFCD00077865 |
| SMILES | CC(C1=CC=NC=C1)O |
| Synonym | r-1-pyridin-4-yl ethanol,r-+-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethan-1-ol,r-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethanol,r-4-1-hydroxyethyl pyridine,1r-1-pyridin-4-ylethanol,r-1-pyridin-4-yl-ethanol,1r-1-4-pyridyl ethanol |
| IUPAC Name | (1R)-1-pyridin-4-ylethanol |
| InChI Key | HVOAMIOKNARIMR-ZCFIWIBFSA-N |
| Molecular Formula | C7H9NO |
2,4,6-Trimethyl-1,6-heptadien-4-ol, 98%
CAS: 79604-66-3 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00026060 InChI Key: METKJWMTLIYYIQ-UHFFFAOYSA-N Synonym: 2,4,6-trimethyl-1,6-heptadien-4-ol,diisobutenyl methyl carbinol PubChem CID: 144898 IUPAC Name: 2,4,6-trimethylhepta-1,6-dien-4-ol SMILES: CC(=C)CC(C)(CC(=C)C)O
| PubChem CID | 144898 |
|---|---|
| CAS | 79604-66-3 |
| Molecular Weight (g/mol) | 154.253 |
| MDL Number | MFCD00026060 |
| SMILES | CC(=C)CC(C)(CC(=C)C)O |
| Synonym | 2,4,6-trimethyl-1,6-heptadien-4-ol,diisobutenyl methyl carbinol |
| IUPAC Name | 2,4,6-trimethylhepta-1,6-dien-4-ol |
| InChI Key | METKJWMTLIYYIQ-UHFFFAOYSA-N |
| Molecular Formula | C10H18O |