ethyl acetoacetate
acetoacetic ester
Identification
| Name | ethyl acetoacetate |
| IUPAC | ethyl 3-oxobutanoate |
| CAS Number | 141-97-9 |
| EINECS | 205-516-1 |
| FDA UNII | IZP61H3TB1 |
| Molecular Formula | C6 H10 O3 |
| Molecular Weight | 130.14330000 |
| MDL Number | MFCD00009199 |
| Nikkaji Number | J4.493H |
| Beilstein | 0385838 |
| CoE Number | 240 |
| XlogP3 | 0.20 (est) |
Regulatory
| JECFA Food Flavoring | 595 ethyl acetoacetate |
| DG SANTE Food Flavourings | 09.402 ethyl acetoacetate |
| FEMA Number | 2415 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 141-97-9 ; ETHYL ACETOACETATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 1.02200 to 1.02710 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.504 to 8.546 |
| Refractive Index | 1.41800 to 1.42100 @ 20.00 °C. |
| Melting Point | -45.40 to -44.00 °C. @ 760.00 mm Hg |
| Boiling Point | 180.00 to 181.00 °C. @ 760.00 mm Hg, 100.00 to 101.00 °C. @ 50.00 mm Hg |
| Acid Value | 5.00 max. KOH/g |
| PH Number | 3.80 |
| Vapor Pressure | 0.890000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 4.48 ( Air = 1 ) |
| Flash Point | 184.00 °F. TCC ( 84.44 °C. ) |
| logP (o/w) | 0.250 |
| Shelf Life | 24.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | paraffin oil |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 4 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Sweet, estry, green, fatty, fruity, tutti-frutti and berry ethereal-fruity, sweet, reminiscent of green apples Ethereal, fruity-apple, sweet, rum-like FRUITY, SWEET, RUM-LIKE
|
| Odor sample from | CA Aromatics Company Inc. |
| Taste Description |
at 300.00 ppm. sweet, fruity
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 8 % solution: non-sensitising. |
| Oral/Parenteral Toxicity | oral-rat LD50 3980 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 ethyl acetoacetate usage levels up to | 15.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1200.00 (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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