geranyl acetoacetate
trans-3,7-dimethyl-2,6-octadien-1-yl 3-oxobutanoate
Identification
| Name | geranyl acetoacetate |
| IUPAC | [(2E)-3,7-dimethylocta-2,6-dienyl] 3-oxobutanoate |
| CAS Number | 10032-00-5 |
| EINECS | 233-101-5 |
| FDA UNII | 08QN2PN8MT |
| Molecular Formula | C14 H22 O3 |
| Molecular Weight | 238.32694000 |
| Nikkaji Number | J54.985A |
| CoE Number | 243 |
Regulatory
| JECFA Food Flavoring | 599 geranyl acetoacetate |
| DG SANTE Food Flavourings | 09.405 geranyl acetoacetate |
| FEMA Number | 2510 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 10032-00-5 ; GERANYL ACETOACETATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear oily liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 127.00 to 129.00 °C. @ 22.00 mm Hg |
| Vapor Pressure | 0.000115 mmHg @ 25.00 °C. (est) |
| Flash Point | 291.00 °F. TCC ( 143.89 °C. ) |
| logP (o/w) | 3.517 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Human Experience | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 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 geranyl acetoacetate usage levels up to | 6.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.04 (μg/capita/day) |
| Structure Class | I |
| baked goods | 1.00000 |
| beverages(nonalcoholic) | 0.50000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 1.00000 |
| fruit ices | 1.00000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 1.00000 |
| 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, 3,7-dimethyl-2,6-octadienyl ester, (E)-
butanoic acid, 3-oxo-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
butanoic acid, 3-oxo-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
(E)-3,7-
dimethyl-2,6-octadien-1-yl 3-oxobutanoate
trans-3,7-
dimethyl-2,6-octadien-1-yl 3-oxobutanoate
3,7-
dimethyl-2,6-octadien-1-yl 3-oxobutanoate, trans-
(E)-3,7-
dimethyl-2,6-octadien-1-yl acetoacetate
trans-3,7-
dimethyl-2,6-octadien-1-yl acetoacetate
3,7-
dimethyl-2,6-octadien-1-yl acetoacetate, trans-
3,7-
dimethyl-2,6-octadienyl 3-oxobutanoate, (E)-
(E)-3,7-
dimethyl-2,6-octadienyl acetoacetate
3,7-
dimethyl-2,6-octadienyl acetoacetate, (E)-
(2E)-3,7-
dimethylocta-2,6-dien-1-yl 3-oxobutanoate
[(2E)-3,7-
dimethylocta-2,6-dienyl] 3-oxobutanoate
(E)-
geranyl 3-oxobutanoate
geranyl acetoacetate
(E)-
geranyl beta-ketobutyrate
(E)-
neryl acetoacetate
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