3-hexenyl 2-methyl butyrate
hex-3-enyl 2-methylbutyrate
Identification
| Name | 3-hexenyl 2-methyl butyrate |
| CAS Number | 10094-41-4 |
| EINECS | 233-224-4 |
| FDA UNII | Search |
| Molecular Formula | C11 H20 O2 |
| Molecular Weight | 184.27880000 |
| MDL Number | MFCD00036530 |
| CoE Number | 2345 |
Regulatory
| JECFA Food Flavoring | 211 3-hexenyl 2-methylbutanoate |
| DG SANTE Food Flavourings | 09.506 hex-3-enyl 2-methylbutyrate |
| FEMA Number | 3497 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 10094-41-4 ; 3-HEXENYL 2-METHYLBUTYRATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.87200 to 0.87900 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.256 to 7.314 |
| Boiling Point | 231.00 to 232.00 °C. @ 760.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 0.061000 mmHg @ 25.00 °C. (est) |
| Flash Point | 182.00 °F. TCC ( 83.33 °C. ) |
| logP (o/w) | 3.772 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 4 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Green, fruity, sweet, juicy and pear-like, with vegetative nuances A fruity green odor with notes of apple and snow-pea, as well as natural connotations
|
| Taste Description |
at 10.00 ppm. Sweet, green notes for a variety of fruits
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| 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 3-hexenyl 2-methyl butyrate usage levels up to | 4.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 4.30 (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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Potential Uses
Natural Occurrence
Synonyms
butanoic acid, 2-methyl-, 3-hexen-1-yl ester
hex-3-en-1-yl 2-methylbutanoate
hex-3-enyl 2-methyl butyrate
hex-3-enyl 2-methylbutanoate
hex-3-enyl 2-methylbutyrate
3-
hexen-1-yl 2-methyl butanoate
3-
hexen-1-yl 2-methyl butyrate
3-
hexen-1-yl 2-methylbutanoate
3-
hexen-1-yl 2-methylbutyrate
C3
hexenyl 2 methyl butyrate
3-
hexenyl 2-methylbutanoate
3-
hexenyl 2-methylbutyrate
2-
methyl butanoic acid 3-hexen-1-yl ester
2-
methyl butyric acid 3-hexen-1-yl ester
2-
methylbutanoic acid 3-hexen-1-yl ester
2-
methylbutyric acid 3-hexen-1-yl ester
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