isoamyl acetoacetate
isopentyl acetoacetate
Identification
| Name | isoamyl acetoacetate |
| IUPAC | 3-methylbutyl 3-oxobutanoate |
| CAS Number | 2308-18-1 |
| EINECS | 218-991-5 |
| FDA UNII | 4QVH533ZIY |
| Molecular Formula | C9 H16 O3 |
| Molecular Weight | 172.22412000 |
| MDL Number | MFCD00059355 |
| Nikkaji Number | J149.306J |
| CoE Number | 227 |
| XlogP3 | 1.60 (est) |
Regulatory
| JECFA Food Flavoring | 598 isoamyl acetoacetate |
| DG SANTE Food Flavourings | 09.401 isopentyl acetoacetate |
| FEMA Number | 3551 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2308-18-1 ; ISOAMYL 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 | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.95600 to 0.96400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.955 to 8.021 |
| Refractive Index | 1.42600 to 1.43000 @ 20.00 °C. |
| Boiling Point | 89.00 to 91.00 °C. @ 6.00 mm Hg, 222.00 to 224.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.167000 mmHg @ 25.00 °C. (est) |
| Flash Point | 215.00 °F. TCC ( 101.67 °C. ) |
| logP (o/w) | 1.740 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | > 24 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. sweet, ethereal, fruity, ripe banana
|
| Taste Description |
green apple fruity
|
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 isoamyl acetoacetate usage levels up to | 6.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (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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Synerzine, Inc.
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Potential Uses
Natural Occurrence
Synonyms
acetoacetic acid isoamyl ester
acetoacetic acid, isopentyl ester
iso
amyl 3-ketobutyrate
iso
amyl 3-oxobutanoate
iso
amyl acetylacetate
iso
amyl beta-ketobutyrate
butanoic acid, 3-oxo-, 3-methylbutyl ester
3-
methyl butyl 3-oxobutanoate
3-
methyl butyl acetoacetate
3-
methyl butyl beta-ketobutyrate
3-
methylbutyl 3-oxobutanoate
3-
methylbutyl 3-oxobutyrate
3-
methylbutyl acetoacetate
3-
methylbutyl beta-ketobutyrate
iso
pentyl 3-oxobutanoate
iso
pentyl acetoacetate
iso
pentyl beta-ketobutyrate
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