Organooxygen compounds
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5-Fluorosalicylaldehyde 98.0+%, TCI America™
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CAS: 347-54-6 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD01090997 InChI Key: FDUBQNUDZOGOFE-UHFFFAOYSA-N Synonym: 5-fluorosalicylaldehyde,5-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxy benzaldehyde,pubchem1444,5-fluoro salicylaldehyde,5-?fluorosalicylaldehyde,acmc-209ia4,ksc492m4t,pharmabridge p-2996 PubChem CID: 2737328 IUPAC Name: 5-fluoro-2-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1F)C=O)O
| PubChem CID | 2737328 |
|---|---|
| CAS | 347-54-6 |
| Molecular Weight (g/mol) | 140.113 |
| MDL Number | MFCD01090997 |
| SMILES | C1=CC(=C(C=C1F)C=O)O |
| Synonym | 5-fluorosalicylaldehyde,5-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxy benzaldehyde,pubchem1444,5-fluoro salicylaldehyde,5-?fluorosalicylaldehyde,acmc-209ia4,ksc492m4t,pharmabridge p-2996 |
| IUPAC Name | 5-fluoro-2-hydroxybenzaldehyde |
| InChI Key | FDUBQNUDZOGOFE-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
2-Methyl-2-pentanol 96.0+%, TCI America™
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CAS: 590-36-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00004485 InChI Key: WFRBDWRZVBPBDO-UHFFFAOYSA-N Synonym: 2-methyl-2-pentanol,2-pentanol, 2-methyl,2-hydroxy-2-methylpentane,unii-hu2so831kp,dimethylpropylcarbinol,hu2so831kp,1,1-dimethylbutanol,methyl-2 pentanol-2,2-methyl-2-hydroxypentane,acmc-209m9l PubChem CID: 11543 IUPAC Name: 2-methylpentan-2-ol SMILES: CCCC(C)(C)O
| PubChem CID | 11543 |
|---|---|
| CAS | 590-36-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00004485 |
| SMILES | CCCC(C)(C)O |
| Synonym | 2-methyl-2-pentanol,2-pentanol, 2-methyl,2-hydroxy-2-methylpentane,unii-hu2so831kp,dimethylpropylcarbinol,hu2so831kp,1,1-dimethylbutanol,methyl-2 pentanol-2,2-methyl-2-hydroxypentane,acmc-209m9l |
| IUPAC Name | 2-methylpentan-2-ol |
| InChI Key | WFRBDWRZVBPBDO-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
4'-Ethylacetophenone 97.0+%, TCI America™
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CAS: 937-30-4 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00009262 InChI Key: NODGRWCMFMEGJH-UHFFFAOYSA-N Synonym: 4'-ethylacetophenone,1-4-ethylphenyl ethanone,p-ethylacetophenone,4-ethylacetophenone,ethanone, 1-4-ethylphenyl,p-acetylethylbenzene,acetophenone, 4'-ethyl,p-ethylphenyl methyl ketone,1-4-ethylphenyl ethan-1-one PubChem CID: 13642 IUPAC Name: 1-(4-ethylphenyl)ethanone SMILES: CCC1=CC=C(C=C1)C(=O)C
| PubChem CID | 13642 |
|---|---|
| CAS | 937-30-4 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00009262 |
| SMILES | CCC1=CC=C(C=C1)C(=O)C |
| Synonym | 4'-ethylacetophenone,1-4-ethylphenyl ethanone,p-ethylacetophenone,4-ethylacetophenone,ethanone, 1-4-ethylphenyl,p-acetylethylbenzene,acetophenone, 4'-ethyl,p-ethylphenyl methyl ketone,1-4-ethylphenyl ethan-1-one |
| IUPAC Name | 1-(4-ethylphenyl)ethanone |
| InChI Key | NODGRWCMFMEGJH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
Chlorogenic Acid Hydrate 98.0+%, TCI America™
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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-2-buten-1-ol 98.0+%, TCI America™
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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 |
2-Bromoethyl Methyl Ether 95.0+%, TCI America™
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CAS: 6482-24-2 Molecular Formula: C3H7BrO Molecular Weight (g/mol): 138.992 MDL Number: MFCD00000236 InChI Key: YZUPZGFPHUVJKC-UHFFFAOYSA-N Synonym: 2-bromoethyl methyl ether,2-methoxyethyl bromide,ethane, 1-bromo-2-methoxy,ether, 2-bromoethyl methyl,methoxyethyl bromide,2-bromoethylmethylether,bromoethyl methyl ether,2-bromoethylmethyl ether,2-bromoethylmethyl-ether,2-bromo-1-methoxyethane PubChem CID: 80972 IUPAC Name: 1-bromo-2-methoxyethane SMILES: COCCBr
| PubChem CID | 80972 |
|---|---|
| CAS | 6482-24-2 |
| Molecular Weight (g/mol) | 138.992 |
| MDL Number | MFCD00000236 |
| SMILES | COCCBr |
| Synonym | 2-bromoethyl methyl ether,2-methoxyethyl bromide,ethane, 1-bromo-2-methoxy,ether, 2-bromoethyl methyl,methoxyethyl bromide,2-bromoethylmethylether,bromoethyl methyl ether,2-bromoethylmethyl ether,2-bromoethylmethyl-ether,2-bromo-1-methoxyethane |
| IUPAC Name | 1-bromo-2-methoxyethane |
| InChI Key | YZUPZGFPHUVJKC-UHFFFAOYSA-N |
| Molecular Formula | C3H7BrO |
myo-Inositol 99.0+%, TCI America™
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CAS: 87-89-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00077932 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N Synonym: scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
| PubChem CID | 892 |
|---|---|
| CAS | 87-89-8 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:24848 |
| MDL Number | MFCD00077932 |
| SMILES | C1(C(C(C(C(C1O)O)O)O)O)O |
| Synonym | scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
2-Acetylfuran 98.0+%, TCI America™
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CAS: 1192-62-7 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.112 MDL Number: MFCD00003242 InChI Key: IEMMBWWQXVXBEU-UHFFFAOYSA-N Synonym: 2-acetylfuran,acetylfuran,1-furan-2-yl ethanone,2-furyl methyl ketone,methyl 2-furyl ketone,1-2-furyl ethanone,2-furylethanone,2-acetyl furan,ketone, 2-furyl methyl,ethanone, 1-2-furanyl PubChem CID: 14505 ChEBI: CHEBI:59983 IUPAC Name: 1-(furan-2-yl)ethanone SMILES: CC(=O)C1=CC=CO1
| PubChem CID | 14505 |
|---|---|
| CAS | 1192-62-7 |
| Molecular Weight (g/mol) | 110.112 |
| ChEBI | CHEBI:59983 |
| MDL Number | MFCD00003242 |
| SMILES | CC(=O)C1=CC=CO1 |
| Synonym | 2-acetylfuran,acetylfuran,1-furan-2-yl ethanone,2-furyl methyl ketone,methyl 2-furyl ketone,1-2-furyl ethanone,2-furylethanone,2-acetyl furan,ketone, 2-furyl methyl,ethanone, 1-2-furanyl |
| IUPAC Name | 1-(furan-2-yl)ethanone |
| InChI Key | IEMMBWWQXVXBEU-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2 |
Methoxycyclopentane (stabilized with BHT) 99.5+%, TCI America™
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CAS: 5614-37-9 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.16 MDL Number: MFCD08276401 InChI Key: SKTCDJAMAYNROS-UHFFFAOYSA-N Synonym: cyclopentyl methyl ether,cyclopentane, methoxy,cpme,cyclopentane,methoxy,unii-4067e5gbkb,cyclopentylmethylether,cylopentylmethylether,methoxycyclopentane,2-methoxycyclopentyl,cylopentyl-methylether PubChem CID: 138539 IUPAC Name: methoxycyclopentane SMILES: COC1CCCC1
| PubChem CID | 138539 |
|---|---|
| CAS | 5614-37-9 |
| Molecular Weight (g/mol) | 100.16 |
| MDL Number | MFCD08276401 |
| SMILES | COC1CCCC1 |
| Synonym | cyclopentyl methyl ether,cyclopentane, methoxy,cpme,cyclopentane,methoxy,unii-4067e5gbkb,cyclopentylmethylether,cylopentylmethylether,methoxycyclopentane,2-methoxycyclopentyl,cylopentyl-methylether |
| IUPAC Name | methoxycyclopentane |
| InChI Key | SKTCDJAMAYNROS-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
Haloperidol 98.0+%, TCI America™
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CAS: 52-86-8 Molecular Formula: C21H23ClFNO2 Molecular Weight (g/mol): 375.87 MDL Number: MFCD00051423 InChI Key: LNEPOXFFQSENCJ-UHFFFAOYSA-N Synonym: haloperidol,haldol,aloperidin,serenace,aloperidol,brotopon,eukystol,einalon s,aloperidolo,galoperidol PubChem CID: 3559 ChEBI: CHEBI:5613 IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
| PubChem CID | 3559 |
|---|---|
| CAS | 52-86-8 |
| Molecular Weight (g/mol) | 375.87 |
| ChEBI | CHEBI:5613 |
| MDL Number | MFCD00051423 |
| SMILES | OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 |
| Synonym | haloperidol,haldol,aloperidin,serenace,aloperidol,brotopon,eukystol,einalon s,aloperidolo,galoperidol |
| IUPAC Name | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
| InChI Key | LNEPOXFFQSENCJ-UHFFFAOYSA-N |
| Molecular Formula | C21H23ClFNO2 |
Dichloromethyl Methyl Ether 97.0+%, TCI America™
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CAS: 4885-02-3 Molecular Formula: C2H4Cl2O Molecular Weight (g/mol): 114.95 MDL Number: MFCD00000828 InChI Key: GRTGGSXWHGKRSB-UHFFFAOYSA-N Synonym: dichloromethyl methyl ether,1,1-dichlorodimethyl ether,dichloro methoxy methane,methane, dichloromethoxy,ether, dichloromethyl methyl,alpha,alpha-dichloromethyl methyl ether,methoxydichloromethane,1,1-dichloromethyl methyl ether,alpha,alpha-dichloromethyl ether,dichloromethylmethylether PubChem CID: 21004 IUPAC Name: dichloro(methoxy)methane SMILES: COC(Cl)Cl
| PubChem CID | 21004 |
|---|---|
| CAS | 4885-02-3 |
| Molecular Weight (g/mol) | 114.95 |
| MDL Number | MFCD00000828 |
| SMILES | COC(Cl)Cl |
| Synonym | dichloromethyl methyl ether,1,1-dichlorodimethyl ether,dichloro methoxy methane,methane, dichloromethoxy,ether, dichloromethyl methyl,alpha,alpha-dichloromethyl methyl ether,methoxydichloromethane,1,1-dichloromethyl methyl ether,alpha,alpha-dichloromethyl ether,dichloromethylmethylether |
| IUPAC Name | dichloro(methoxy)methane |
| InChI Key | GRTGGSXWHGKRSB-UHFFFAOYSA-N |
| Molecular Formula | C2H4Cl2O |
Ethyl 3-Methyl-3-phenylglycidate (mixture of isomers) 95.0+%, TCI America™
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CAS: 77-83-8 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.241 MDL Number: MFCD00022338 InChI Key: LQKRYVGRPXFFAV-UHFFFAOYSA-N Synonym: ethyl methylphenylglycidate,ethyl 3-methyl-3-phenylglycidate,strawberry aldehyde,fraeseol,empg,c-16 aldehyde,aldehyde c-16,ethyl methylphenyl glycidate,ethyl-3-methyl-3-phenylglycidate,ethyl 2,3-epoxy-3-phenylbutyrate PubChem CID: 6501 IUPAC Name: ethyl 3-methyl-3-phenyloxirane-2-carboxylate SMILES: CCOC(=O)C1C(O1)(C)C2=CC=CC=C2
| PubChem CID | 6501 |
|---|---|
| CAS | 77-83-8 |
| Molecular Weight (g/mol) | 206.241 |
| MDL Number | MFCD00022338 |
| SMILES | CCOC(=O)C1C(O1)(C)C2=CC=CC=C2 |
| Synonym | ethyl methylphenylglycidate,ethyl 3-methyl-3-phenylglycidate,strawberry aldehyde,fraeseol,empg,c-16 aldehyde,aldehyde c-16,ethyl methylphenyl glycidate,ethyl-3-methyl-3-phenylglycidate,ethyl 2,3-epoxy-3-phenylbutyrate |
| IUPAC Name | ethyl 3-methyl-3-phenyloxirane-2-carboxylate |
| InChI Key | LQKRYVGRPXFFAV-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |
4-Acetylbiphenyl 98.0+%, TCI America™
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CAS: 92-91-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.249 MDL Number: MFCD00008749 InChI Key: QCZZSANNLWPGEA-UHFFFAOYSA-N Synonym: 4-acetylbiphenyl,4'-phenylacetophenone,4-phenylacetophenone,4-biphenylyl methyl ketone,p-phenylacetophenone,p-acetylbiphenyl,1-1,1'-biphenyl-4-yl ethanone,acetophenone, 4'-phenyl,1-4-phenylphenyl ethanone,ketone, 4-biphenylyl methyl PubChem CID: 7113 IUPAC Name: 1-(4-phenylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
| PubChem CID | 7113 |
|---|---|
| CAS | 92-91-1 |
| Molecular Weight (g/mol) | 196.249 |
| MDL Number | MFCD00008749 |
| SMILES | CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 |
| Synonym | 4-acetylbiphenyl,4'-phenylacetophenone,4-phenylacetophenone,4-biphenylyl methyl ketone,p-phenylacetophenone,p-acetylbiphenyl,1-1,1'-biphenyl-4-yl ethanone,acetophenone, 4'-phenyl,1-4-phenylphenyl ethanone,ketone, 4-biphenylyl methyl |
| IUPAC Name | 1-(4-phenylphenyl)ethanone |
| InChI Key | QCZZSANNLWPGEA-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
(R)-(+)-1-Phenylethyl Alcohol 98.0+%, TCI America™
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CAS: 1517-69-7 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00064263 InChI Key: WAPNOHKVXSQRPX-UHFFFAOYNA-N Synonym: r-1-phenylethanol,r-+-1-phenylethanol,1r-1-phenylethanol,r-alpha-methylbenzyl alcohol,r-+-sec-phenethyl alcohol,1r-1-phenylethan-1-ol,r-+-1-phenylethyl alcohol,1-phenylethanol, r,benzenemethanol, alpha-methyl-, r PubChem CID: 637516 ChEBI: CHEBI:45616 IUPAC Name: 1-phenylethan-1-ol SMILES: CC(O)C1=CC=CC=C1
| PubChem CID | 637516 |
|---|---|
| CAS | 1517-69-7 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:45616 |
| MDL Number | MFCD00064263 |
| SMILES | CC(O)C1=CC=CC=C1 |
| Synonym | r-1-phenylethanol,r-+-1-phenylethanol,1r-1-phenylethanol,r-alpha-methylbenzyl alcohol,r-+-sec-phenethyl alcohol,1r-1-phenylethan-1-ol,r-+-1-phenylethyl alcohol,1-phenylethanol, r,benzenemethanol, alpha-methyl-, r |
| IUPAC Name | 1-phenylethan-1-ol |
| InChI Key | WAPNOHKVXSQRPX-UHFFFAOYNA-N |
| Molecular Formula | C8H10O |
2,2-Dimethyl-1,3-dioxolane-4-methanol 98.0+%, TCI America™
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CAS: 100-79-8 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.159 MDL Number: MFCD00063238 InChI Key: RNVYQYLELCKWAN-UHFFFAOYSA-N Synonym: solketal,2,2-dimethyl-1,3-dioxolane-4-methanol,2,2-dimethyl-1,3-dioxolan-4-yl methanol,glycerolacetone,dioxolan,isopropylidene glycerol,1,2-isopropylideneglycerol,1,2-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl,glycerol dimethylketal PubChem CID: 7528 IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol SMILES: CC1(OCC(O1)CO)C
| PubChem CID | 7528 |
|---|---|
| CAS | 100-79-8 |
| Molecular Weight (g/mol) | 132.159 |
| MDL Number | MFCD00063238 |
| SMILES | CC1(OCC(O1)CO)C |
| Synonym | solketal,2,2-dimethyl-1,3-dioxolane-4-methanol,2,2-dimethyl-1,3-dioxolan-4-yl methanol,glycerolacetone,dioxolan,isopropylidene glycerol,1,2-isopropylideneglycerol,1,2-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl,glycerol dimethylketal |
| IUPAC Name | (2,2-dimethyl-1,3-dioxolan-4-yl)methanol |
| InChI Key | RNVYQYLELCKWAN-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |