isoamyl isovalerate
isopentyl isovalerate
Identification
| Name | isoamyl isovalerate |
| IUPAC | 3-methylbutyl 3-methylbutanoate |
| CAS Number | 659-70-1 |
| EINECS | 211-536-1 |
| FDA UNII | 16M1VA1FJY |
| Molecular Formula | C10 H20 O2 |
| Molecular Weight | 172.26780000 |
| MDL Number | MFCD00048369 |
| Nikkaji Number | J2.103B |
| Beilstein | 1753884 |
| CoE Number | 458 |
Regulatory
| JECFA Food Flavoring | 50 isoamyl isovalerate |
| DG SANTE Food Flavourings | 09.463 3-methylbutyl 3-methylbutyrate |
| FEMA Number | 2085 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 659-70-1 ; ISOAMYL 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 | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.85100 to 0.85700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.081 to 7.131 |
| Refractive Index | 1.41100 to 1.41400 @ 20.00 °C. |
| Boiling Point | 190.00 to 191.00 °C. @ 760.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 0.886000 mmHg @ 25.00 °C. |
| Vapor Density | 5.9 ( Air = 1 ) |
| Flash Point | 152.00 °F. TCC ( 66.67 °C. ) |
| logP (o/w) | 3.530 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | < 3 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. at 1.00 % in ethyl alcohol. sweet, like chocolate and cognac, as well as slightly fruity Fresh, Fruity, Ripe, Sweet, Tropical Fruity, Sweet, Apple, Apricot, Mango sweet, fruity (banana and apple note) sweet fruity green ripe apple jammy tropical FRUITY
|
| Odor sample from | Elan Inc. |
| Taste Description |
at 1.00 ppm. sweet, fruity, green, soapy fruity, green note, ethereal SWEET APPLE LIKE
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 2 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rabbit LD50 13956 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 | flavor and fragrance agents |
| Recommendation for isoamyl isovalerate usage levels up to | 8.0000 % in the fragrance concentrate. |
| 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 | 1.00000 |
| 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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