methyl isovalerate
isovaleric acid, methyl ester
Identification
| Name | methyl isovalerate |
| IUPAC | methyl 3-methylbutanoate |
| CAS Number | 556-24-1 |
| EINECS | 209-117-3 |
| FDA UNII | QPS4788198 |
| Molecular Formula | C6 H12 O2 |
| Molecular Weight | 116.16004000 |
| MDL Number | MFCD00042866 |
| Nikkaji Number | J47.113E |
| Beilstein | 1699922 |
| CoE Number | 457 |
| XlogP3 | 1.80 (est) |
Regulatory
| JECFA Food Flavoring | 195 methyl isovalerate |
| DG SANTE Food Flavourings | 09.462 methyl isovalerate |
| FEMA Number | 2753 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 556-24-1 ; METHYL 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 | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.87600 to 0.88300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.289 to 7.347 |
| Refractive Index | 1.39200 to 1.39800 @ 20.00 °C. |
| Boiling Point | 114.00 to 115.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 18.170000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 4.0 ( Air = 1 ) |
| Flash Point | 58.00 °F. TCC ( 14.44 °C. ) |
| logP (o/w) | 1.820 |
| Soluble in | alcohol |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 96 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Diffusive, sweet estery, fruity with tutti frutti nuances Strong, Pungent, Apple
|
| Odor sample from | Fritzsche Dodge & Olcott, Inc. |
| Taste Description | at 80.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 5693 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-mouse LC50 20250 mg/m3/2H |
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 methyl isovalerate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 6.60 (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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