benzyl acetoacetate
benzyl 3-oxobutyrate
Identification
| Name | benzyl acetoacetate |
| IUPAC | benzyl 3-oxobutanoate |
| CAS Number | 5396-89-4 |
| EINECS | 226-416-4 |
| FDA UNII | F9S0XGV18X |
| Molecular Formula | C11 H12 O3 |
| Molecular Weight | 192.21424000 |
| MDL Number | MFCD00008785 |
| Nikkaji Number | J103.932F |
| Beilstein | 2049615 |
| CoE Number | 244 |
| XlogP3 | 1.80 (est) |
Regulatory
| JECFA Food Flavoring | 848 benzyl acetoacetate |
| DG SANTE Food Flavourings | 09.406 benzyl 3-oxobutyrate |
| FEMA Number | 2136 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 5396-89-4 ; BENZYL ACETOACETATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.10900 to 1.11600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.228 to 9.286 |
| Refractive Index | 1.50900 to 1.51500 @ 20.00 °C. |
| Melting Point | 162.00 to 164.00 °C. @ 16.00 mm Hg |
| Boiling Point | 156.00 to 159.00 °C. @ 10.00 mm Hg, 249.00 °C. @ 760.00 mm Hg |
| Acid Value | 3.00 max. KOH/g |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 1.599 (est) |
| Soluble in | alcohol |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 24 hour(s) at 100.00 % |
| Odor Description | at 100.00 %. |
| Taste Description | floral |
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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for benzyl acetoacetate usage levels up to | 10.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.24 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.07 (μg/capita/day) |
| Structure Class | I |
| 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 benzyl ester
acetoacetic acid, benzyl ester
benzyl 3-oxobutanoate
benzyl 3-oxobutyrate
benzyl acetyl acetate
benzyl acetylacetate
benzyl beta-ketobutyrate
3-oxo-
butanoic acid phenyl methyl ester
butanoic acid, 3-oxo-, phenylmethyl ester
3-oxo-
butyric acid benzyl ester
phenyl methyl 3-oxobutanoate
phenylmethyl 3-oxobutanoate
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