Organooxygen compounds
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3-Pentyn-1-ol, 99%
CAS: 10229-10-4 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00002956 InChI Key: IDYNOORNKYEHHO-UHFFFAOYSA-N Synonym: 3-pentyn-1-ol,3-pentynol,acmc-1bxad PubChem CID: 66295 IUPAC Name: pent-3-yn-1-ol SMILES: CC#CCCO
| PubChem CID | 66295 |
|---|---|
| CAS | 10229-10-4 |
| Molecular Weight (g/mol) | 84.12 |
| MDL Number | MFCD00002956 |
| SMILES | CC#CCCO |
| Synonym | 3-pentyn-1-ol,3-pentynol,acmc-1bxad |
| IUPAC Name | pent-3-yn-1-ol |
| InChI Key | IDYNOORNKYEHHO-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
Shikimic Acid, MP Biomedicals™
CAS: 138-59-0 Molecular Formula: C7H9O5- Molecular Weight (g/mol): 173.144 InChI Key: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonym: shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid PubChem CID: 7057976 ChEBI: CHEBI:36208 IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O
| PubChem CID | 7057976 |
|---|---|
| CAS | 138-59-0 |
| Molecular Weight (g/mol) | 173.144 |
| ChEBI | CHEBI:36208 |
| SMILES | C1C(C(C(C=C1C(=O)[O-])O)O)O |
| Synonym | shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid |
| IUPAC Name | (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate |
| InChI Key | JXOHGGNKMLTUBP-HSUXUTPPSA-M |
| Molecular Formula | C7H9O5- |
tert-Amyl Alcohol, 99%, Spectrum™ Chemical
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CAS: 75-85-4
| CAS | 75-85-4 |
|---|
Tetraethyleneglycol monomethyl ether, 98%
CAS: 23783-42-8 Molecular Formula: C9H20O5 Molecular Weight (g/mol): 208.254 MDL Number: MFCD00041756 InChI Key: ZNYRFEPBTVGZDN-UHFFFAOYSA-N Synonym: 2,5,8,11-tetraoxatridecan-13-ol,tetraethylene glycol monomethyl ether,tetraethyleneglycol monomethyl ether,3,6,9,12-tetraoxatridecan-1-ol,methyl tetraglycol,tetraethyleneglycol monomethylether,mpeg4-oh,2-2-2-2-methoxy-ethoxy-ethoxy-ethoxy-ethanol,2-2-2-2-methoxyethoxy ethoxy ethoxy ethanol,m-peg4-alcohol PubChem CID: 90263 IUPAC Name: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol SMILES: COCCOCCOCCOCCO
| PubChem CID | 90263 |
|---|---|
| CAS | 23783-42-8 |
| Molecular Weight (g/mol) | 208.254 |
| MDL Number | MFCD00041756 |
| SMILES | COCCOCCOCCOCCO |
| Synonym | 2,5,8,11-tetraoxatridecan-13-ol,tetraethylene glycol monomethyl ether,tetraethyleneglycol monomethyl ether,3,6,9,12-tetraoxatridecan-1-ol,methyl tetraglycol,tetraethyleneglycol monomethylether,mpeg4-oh,2-2-2-2-methoxy-ethoxy-ethoxy-ethoxy-ethanol,2-2-2-2-methoxyethoxy ethoxy ethoxy ethanol,m-peg4-alcohol |
| IUPAC Name | 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol |
| InChI Key | ZNYRFEPBTVGZDN-UHFFFAOYSA-N |
| Molecular Formula | C9H20O5 |
3-Hydroxyadamantane-1-carboxylic acid, 97%
CAS: 42711-75-1 Molecular Formula: C11H15O3 Molecular Weight (g/mol): 195.24 MDL Number: MFCD00193929 InChI Key: CJJMAWPEZKYJAP-JZVMUCMXSA-M Synonym: 3-hydroxy-1-adamantanecarboxylic acid,3-hydroxy-adamantane-1-carboxylic acid,3-hydroxyadamantanecarboxylic acid,1-carboxy-3-adamantanol,3-hydroxy-1-adamantane carboxylic acid,3-hydroxytricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3-carboxy-1-hydroxyadamantane,3-hydroxy-tricyclo,acmc-1aqmu,3-carboxy-1-adamantanol PubChem CID: 2736518 IUPAC Name: 3-hydroxyadamantane-1-carboxylic acid SMILES: OC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C([O-])=O
| PubChem CID | 2736518 |
|---|---|
| CAS | 42711-75-1 |
| Molecular Weight (g/mol) | 195.24 |
| MDL Number | MFCD00193929 |
| SMILES | OC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C([O-])=O |
| Synonym | 3-hydroxy-1-adamantanecarboxylic acid,3-hydroxy-adamantane-1-carboxylic acid,3-hydroxyadamantanecarboxylic acid,1-carboxy-3-adamantanol,3-hydroxy-1-adamantane carboxylic acid,3-hydroxytricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3-carboxy-1-hydroxyadamantane,3-hydroxy-tricyclo,acmc-1aqmu,3-carboxy-1-adamantanol |
| IUPAC Name | 3-hydroxyadamantane-1-carboxylic acid |
| InChI Key | CJJMAWPEZKYJAP-JZVMUCMXSA-M |
| Molecular Formula | C11H15O3 |
3-Chloro-1-propanol, 98%, stab.
CAS: 627-30-5 Molecular Formula: C3H7ClO Molecular Weight (g/mol): 94.538 MDL Number: MFCD00002943 InChI Key: LAMUXTNQCICZQX-UHFFFAOYSA-N Synonym: 3-chloro-1-propanol,3-chloropropanol,1-propanol, 3-chloro,1-chloro-3-hydroxypropane,trimethylene chlorohydrin,3-chloro-l-propanol,3-chlorpropan-1-ol,3-choro-1-propanol,1-chloro-3-propanol,3-chloropropanol-1 PubChem CID: 12313 IUPAC Name: 3-chloropropan-1-ol SMILES: C(CO)CCl
| PubChem CID | 12313 |
|---|---|
| CAS | 627-30-5 |
| Molecular Weight (g/mol) | 94.538 |
| MDL Number | MFCD00002943 |
| SMILES | C(CO)CCl |
| Synonym | 3-chloro-1-propanol,3-chloropropanol,1-propanol, 3-chloro,1-chloro-3-hydroxypropane,trimethylene chlorohydrin,3-chloro-l-propanol,3-chlorpropan-1-ol,3-choro-1-propanol,1-chloro-3-propanol,3-chloropropanol-1 |
| IUPAC Name | 3-chloropropan-1-ol |
| InChI Key | LAMUXTNQCICZQX-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClO |
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
| 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 |
Neopentyl alcohol, 99%
CAS: 75-84-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004682 InChI Key: KPSSIOMAKSHJJG-UHFFFAOYSA-N Synonym: neopentyl alcohol,2,2-dimethyl-1-propanol,2,2-dimethylpropanol,tert-butylcarbinol,1-propanol, 2,2-dimethyl,tert-butyl carbinol,neopentanol,neopentylalcohol,neoamyl alcohol,2,2-dimethylpropyl alcohol PubChem CID: 6404 IUPAC Name: 2,2-dimethylpropan-1-ol SMILES: CC(C)(C)CO
| PubChem CID | 6404 |
|---|---|
| CAS | 75-84-3 |
| Molecular Weight (g/mol) | 88.15 |
| MDL Number | MFCD00004682 |
| SMILES | CC(C)(C)CO |
| Synonym | neopentyl alcohol,2,2-dimethyl-1-propanol,2,2-dimethylpropanol,tert-butylcarbinol,1-propanol, 2,2-dimethyl,tert-butyl carbinol,neopentanol,neopentylalcohol,neoamyl alcohol,2,2-dimethylpropyl alcohol |
| IUPAC Name | 2,2-dimethylpropan-1-ol |
| InChI Key | KPSSIOMAKSHJJG-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Neopentyl alcohol, 99%
CAS: 75-84-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004682 InChI Key: KPSSIOMAKSHJJG-UHFFFAOYSA-N Synonym: neopentyl alcohol,2,2-dimethyl-1-propanol,2,2-dimethylpropanol,tert-butylcarbinol,1-propanol, 2,2-dimethyl,tert-butyl carbinol,neopentanol,neopentylalcohol,neoamyl alcohol,2,2-dimethylpropyl alcohol PubChem CID: 6404 IUPAC Name: 2,2-dimethylpropan-1-ol SMILES: CC(C)(C)CO
| PubChem CID | 6404 |
|---|---|
| CAS | 75-84-3 |
| Molecular Weight (g/mol) | 88.15 |
| MDL Number | MFCD00004682 |
| SMILES | CC(C)(C)CO |
| Synonym | neopentyl alcohol,2,2-dimethyl-1-propanol,2,2-dimethylpropanol,tert-butylcarbinol,1-propanol, 2,2-dimethyl,tert-butyl carbinol,neopentanol,neopentylalcohol,neoamyl alcohol,2,2-dimethylpropyl alcohol |
| IUPAC Name | 2,2-dimethylpropan-1-ol |
| InChI Key | KPSSIOMAKSHJJG-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
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 |
3-Methyl-1,5-pentanediol, 99%
CAS: 4457-71-0 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00039547 InChI Key: SXFJDZNJHVPHPH-UHFFFAOYSA-N Synonym: 3-methyl-1,5-pentanediol,1,5-pentanediol, 3-methyl,1,5-dihydroxy-3-methylpentane,unii-88495m4hns,acmc-1ai92,3-methyl-1,5-pentane diol,3-methyl-pentane-1,5-diol,3-methylpentane-1,5-diol,1,5-pentanediol,3-methyl,4-01-00-02571 beilstein handbook reference PubChem CID: 20524 IUPAC Name: 3-methylpentane-1,5-diol SMILES: CC(CCO)CCO
| PubChem CID | 20524 |
|---|---|
| CAS | 4457-71-0 |
| Molecular Weight (g/mol) | 118.176 |
| MDL Number | MFCD00039547 |
| SMILES | CC(CCO)CCO |
| Synonym | 3-methyl-1,5-pentanediol,1,5-pentanediol, 3-methyl,1,5-dihydroxy-3-methylpentane,unii-88495m4hns,acmc-1ai92,3-methyl-1,5-pentane diol,3-methyl-pentane-1,5-diol,3-methylpentane-1,5-diol,1,5-pentanediol,3-methyl,4-01-00-02571 beilstein handbook reference |
| IUPAC Name | 3-methylpentane-1,5-diol |
| InChI Key | SXFJDZNJHVPHPH-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
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 |
cis-2-Butene-1,4-diol, 97%
CAS: 6117-80-2 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00002924,MFCD00063207 InChI Key: ORTVZLZNOYNASJ-UPHRSURJSA-N Synonym: cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv PubChem CID: 643790 SMILES: OC\C=C/CO
| PubChem CID | 643790 |
|---|---|
| CAS | 6117-80-2 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00002924,MFCD00063207 |
| SMILES | OC\C=C/CO |
| Synonym | cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv |
| InChI Key | ORTVZLZNOYNASJ-UPHRSURJSA-N |
| Molecular Formula | C4H8O2 |
5-Norbornen-2-ol, mixture of endo and exo, 98+%
CAS: 13080-90-5 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.156 MDL Number: MFCD00167566 InChI Key: MKOSBHNWXFSHSW-UHFFFAOYSA-N Synonym: 5-norbornene-2-ol,bicyclo 2.2.1 hept-5-en-2-ol,5-norbornen-2-ol,5-norbornen-2-ol, exo,exo-2-norbornenol,bicyclo 2.2.1 hept-2-en-5-ol,bicyclo 2.2.1 hept-5-en-2-ol, exo,5-norbornen-2-ol exo PubChem CID: 96066 IUPAC Name: bicyclo[2.2.1]hept-2-en-5-ol SMILES: C1C2CC(C1C=C2)O
| PubChem CID | 96066 |
|---|---|
| CAS | 13080-90-5 |
| Molecular Weight (g/mol) | 110.156 |
| MDL Number | MFCD00167566 |
| SMILES | C1C2CC(C1C=C2)O |
| Synonym | 5-norbornene-2-ol,bicyclo 2.2.1 hept-5-en-2-ol,5-norbornen-2-ol,5-norbornen-2-ol, exo,exo-2-norbornenol,bicyclo 2.2.1 hept-2-en-5-ol,bicyclo 2.2.1 hept-5-en-2-ol, exo,5-norbornen-2-ol exo |
| IUPAC Name | bicyclo[2.2.1]hept-2-en-5-ol |
| InChI Key | MKOSBHNWXFSHSW-UHFFFAOYSA-N |
| Molecular Formula | C7H10O |
3-Methyl-2-buten-1-ol, 98+%
CAS: 556-82-1 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00002916 InChI Key: ASUAYTHWZCLXAN-UHFFFAOYSA-N Synonym: 3-methyl-2-buten-1-ol,prenol,3,3-dimethylallyl alcohol,2-buten-1-ol, 3-methyl,prenyl alcohol,3-methyl-2-butenol,dimethylallyl alcohol,3-methyl-2-butenyl alcohol,3-methylcrotyl alcohol,3-methyl-2-butene-1-ol PubChem CID: 11173 ChEBI: CHEBI:16019 IUPAC Name: 3-methylbut-2-en-1-ol SMILES: CC(C)=CCO
| PubChem CID | 11173 |
|---|---|
| CAS | 556-82-1 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16019 |
| MDL Number | MFCD00002916 |
| SMILES | CC(C)=CCO |
| Synonym | 3-methyl-2-buten-1-ol,prenol,3,3-dimethylallyl alcohol,2-buten-1-ol, 3-methyl,prenyl alcohol,3-methyl-2-butenol,dimethylallyl alcohol,3-methyl-2-butenyl alcohol,3-methylcrotyl alcohol,3-methyl-2-butene-1-ol |
| IUPAC Name | 3-methylbut-2-en-1-ol |
| InChI Key | ASUAYTHWZCLXAN-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |