isopropyl acetoacetate
butanoic acid, 3-oxo-, 1-methylethyl ester
Identification
| Name | isopropyl acetoacetate |
| IUPAC | propan-2-yl 3-oxobutanoate |
| CAS Number | 542-08-5 |
| EINECS | 208-798-4 |
| FDA UNII | 38GTB2C6XC |
| Molecular Formula | C7 H12 O3 |
| Molecular Weight | 144.17024000 |
| MDL Number | MFCD00043933 |
| Nikkaji Number | J101.359I |
| Beilstein | 1757046 |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 186.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.686000 mmHg @ 25.00 °C. (est) |
| Flash Point | 156.00 °F. TCC ( 68.90 °C. ) (est) |
| logP (o/w) | 1.060 (est) |
| Soluble in | alcohol |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | information only not used for fragrances or flavors |
| Recommendation for isopropyl acetoacetate usage levels up to | not for fragrance use. |
| Recommendation for isopropyl acetoacetate flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
acetoacetic acid isopropyl ester
acetoacetic acid, isopropyl ester
3-oxo-
butanoic acid 1-methylethyl ester
butanoic acid, 3-oxo-, 1-methylethyl ester
3-oxo
butyric Acid Isopropyl Ester
3-oxo-
butyric acid isopropyl ester
propan-2-yl 3-oxobutanoate
iso
propyl 3-oxobutanoate
iso
propyl 3-oxobutyrate
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Catalytic asymmetric total synthesis of (+)-artalbic acid.
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Modification of yttrium alkoxides: β-Ketoesterate-substituted yttrium alkoxo/hydroxo/oxo clusters.
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Synthesis and in vitro microbiological evaluation of novel 4-aryl-5-isopropoxycarbonyl-6-methyl-3,4-dihydropyrimidinones.