cyclohexyl isovalerate
isovaleric acid, cyclohexyl ester
Identification
| Name | cyclohexyl isovalerate |
| IUPAC | cyclohexyl 3-methylbutanoate |
| CAS Number | 7774-44-9 |
| EINECS | 231-874-3 |
| FDA UNII | 6SQ3O6ST39 |
| Molecular Formula | C11 H20 O2 |
| Molecular Weight | 184.27880000 |
| MDL Number | MFCD00046351 |
| Nikkaji Number | J47.842C |
| CoE Number | 459 |
Regulatory
| JECFA Food Flavoring | 1096 cyclohexyl isovalerate |
| DG SANTE Food Flavourings | 09.464 cyclohexyl isovalerate |
| FEMA Number | 2355 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 7774-44-9 ; CYCLOHEXYL ISOVALERATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.94500 to 0.95200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.863 to 7.922 |
| Refractive Index | 1.43900 to 1.44500 @ 20.00 °C. |
| Boiling Point | 223.00 °C. @ 760.00 mm Hg, 58.00 to 62.00 °C. @ 0.50 mm Hg |
| Vapor Pressure | 0.112000 mmHg @ 25.00 °C. (est) |
| Flash Point | 192.00 °F. TCC ( 88.89 °C. ) |
| logP (o/w) | 3.620 (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 %. |
| Taste Description | fruity apple banana |
Safety Information
| Preferred SDS | View |
| 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 cyclohexyl isovalerate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.28 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.05 (μg/capita/day) |
| Structure Class | I |
| baked goods | 1.70000 |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 7.00000 |
| fruit ices | 7.00000 |
| 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
butanoic acid, 3-methyl-, cyclohexyl ester
cyclohexyl 3-methyl butanoate
cyclohexyl 3-methylbutanoate
cyclohexyl isopentanoate
cyclohexyl isovalerianate
cyclohexyl-iso-valerate
3-
methyl butanoic acid cyclohexyl ester
iso
valeric acid cyclohexyl ester
iso
valeric acid, cyclohexyl ester
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