butyl acetoacetate
butyl 3-oxobutyrate
Identification
| Name | butyl acetoacetate |
| IUPAC | butyl 3-oxobutanoate |
| CAS Number | 591-60-6 |
| EINECS | 209-722-2 |
| FDA UNII | 2W08J7H74O |
| Molecular Formula | C8 H14 O3 |
| Molecular Weight | 158.19718000 |
| MDL Number | MFCD00059252 |
| Nikkaji Number | J74.804H |
| Beilstein | 1761408 |
| CoE Number | 241 |
| XlogP3 | 1.10 (est) |
Regulatory
| JECFA Food Flavoring | 596 butyl acetoacetate |
| DG SANTE Food Flavourings | 09.403 butyl acetoacetate |
| FEMA Number | 2176 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 591-60-6 ; BUTYL ACETOACETATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.98100 to 0.98500 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.172 to 8.206 |
| Refractive Index | 1.42500 to 1.42900 @ 20.00 °C. |
| Melting Point | -35.60 °C. @ 760.00 mm Hg |
| Boiling Point | 100.00 to 103.00 °C. @ 16.00 mm Hg, 205.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.243000 mmHg @ 25.00 °C. (est) |
| Flash Point | 175.00 °F. TCC ( 79.44 °C. ) |
| logP (o/w) | 1.386 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 10.00 % in dipropylene glycol. |
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: F] 11260 mg/kg |
| 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for butyl acetoacetate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 63.00 (μg/capita/day) |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
acetoacetic acid butyl ester
3-oxo-
butanoic acid butyl ester
butanoic acid, 3-oxo-, butyl ester
butyl 3-ketobutanoate
butyl 3-ketobutyrate
butyl 3-oxobutanoate
butyl 3-oxobutyrate
N-
butyl acetoacetate
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