acetyl isovaleryl
5-methyl-2,3-hexanedione
Identification
| Name | acetyl isovaleryl |
| IUPAC | 5-methylhexane-2,3-dione |
| CAS Number | 13706-86-0 |
| EINECS | 237-241-8 |
| FDA UNII | ZI95KZ32L4 |
| Molecular Formula | C7 H12 O2 |
| Molecular Weight | 128.17104000 |
| MDL Number | MFCD00059352 |
| Nikkaji Number | J64.762D |
| Beilstein | 1745751 |
| CoE Number | 11148 |
Regulatory
| JECFA Food Flavoring | 414 5-methyl-2,3-hexanedione |
| DG SANTE Food Flavourings | 07.093 5-methylhexan-2,3-dione |
| FEMA Number | 3190 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 13706-86-0 ; 5-METHYL-2,3-HEXANEDIONE |
Physical Properties
| Appearance | yellow clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.90600 to 0.91600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.539 to 7.622 |
| Refractive Index | 1.40600 to 1.41600 @ 20.00 °C. |
| Boiling Point | 138.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 6.866000 mmHg @ 25.00 °C. (est) |
| Flash Point | 107.00 °F. TCC ( 41.67 °C. ) |
| logP (o/w) | 0.060 |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | not used anymore |
Organoleptic Properties
| Odor Description |
at 1.00 % in propylene glycol. Sweet, sharp, fruity, creamy with a brown buttery nuance
|
| Taste Description | at 50.00 ppm. |
Safety Information
| Preferred SDS | View |
| Human Experience | 0.1 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 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 | flavoring agents |
| IFRA Critical Effect | Dermal sensitization |
| Recommendation for acetyl isovaleryl usage levels up to | PROHIBITED: Should not be used as a fragrance ingredient. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.10 (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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