spicy acetoacetate
ethyl 2-acetyl-3-phenylpropionate
Identification
| Name | spicy acetoacetate |
| IUPAC | ethyl (2S)-3-oxo-2-(phenylmethyl)butanoate |
| EINECS | 210-651-4 |
| FDA UNII | Search |
| Molecular Formula | C13 H16 O3 |
| Molecular Weight | 220.26812000 |
| MDL Number | MFCD00009156 |
| Nikkaji Number | J6.826H |
| CoE Number | 2241 |
| XlogP3 | 2.50 (est) |
Regulatory
| JECFA Food Flavoring | 835 ethyl 2-acetyl-3-phenylpropionate |
| DG SANTE Food Flavourings | 09.501 ethyl 2-acetyl-3-phenylpropionate |
| FEMA Number | 2416 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 620-79-1 ; ETHYL 2-ACETYL-3-PHENYLPROPIONATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Additional Assay Information | racemate |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.03300 to 1.03700 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.606 to 8.639 |
| Refractive Index | 1.49800 to 1.50200 @ 20.00 °C. |
| Boiling Point | 276.00 °C. @ 760.00 mm Hg, 164.00 °C. @ 18.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 2.520 |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description |
at 100.00 %. Sweet, musty, spicy, floral, fruity and vanilla with a slight berry nuance
|
| Odor sample from | Sigma-Aldrich |
| Taste Description |
sweet spicy balsamic cinnamon peppery cinnamyl sappy nut skin caramellic at 12.00 ppm.
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| 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 spicy acetoacetate usage levels up to | 3.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.37 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.40 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | 0.10000 |
| 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
alpha-
acetyl benzene propanoic acid ethyl ester
alpha-
acetyl hydrocinnamic acid ethyl ester
2-
acetyl-3-phenylpropionic acid ethyl ester
benzenepropanoic acid, a-acetyl-, ethyl ester
2-
benzyl-3-oxo-butyric acid ethyl ester
2-
benzylacetoacetic acid ethyl ester
ethyl 2-acetyl dihydrocinnamate
ethyl 2-acetyl-3-phenyl propionate
ethyl 2-acetyl-3-phenylpropionate
ethyl 2-acetyldihydrocinnamate
ethyl 2-benzyl acetoacetate
ethyl 2-benzyl-3-oxobutanoate
ethyl 2-benzylacetoacetate
ethyl 3-oxo-2-(phenylmethyl)butanoate
ethyl 3-oxo-2-benzyl butanoate
ethyl 3-oxo-2-benzylbutanoate
ethyl a-acetylbenzenepropanoate
ethyl a-acetylhydrocinnamate
ethyl a-benzylacetoacetate
ethyl alpha-acetyl benzene propanoate
ethyl alpha-acetyl hydrocinnamate
ethyl benzyl acetoacetate
ethyl benzylacetoacetate
ethyl-2-benzyl acetoacetate
ethyl-2-benzyl-3-oxobutanoat
ethyl-2-benzylacetoacetate
hydrocinnamic acid, a-acetyl-, ethyl ester
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