(E)-2-hexen-1-yl butyrate
trans-2-hexenyl butyrate
Identification
| Name | (E)-2-hexen-1-yl butyrate |
| IUPAC | [(E)-hex-2-enyl] butanoate |
| CAS Number | 53398-83-7 |
| EINECS | 258-515-3 |
| FDA UNII | Z60BMY964J |
| Molecular Formula | C10 H18 O2 |
| Molecular Weight | 170.25186000 |
| MDL Number | MFCD00036546 |
| Nikkaji Number | J118.153J |
| CoE Number | 9396 |
Regulatory
| JECFA Food Flavoring | 1375 trans-2-hexenyl butyrate |
| DG SANTE Food Flavourings | 09.396 (E)-hex-2-enyl butyrate |
| FEMA Number | 3926 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 53398-83-7 ; (E)-2-HEXENYL BUTYRATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.87800 to 0.88800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.306 to 7.389 |
| Refractive Index | 1.42800 to 1.43500 @ 20.00 °C. |
| Boiling Point | 191.00 to 193.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.137000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 162.00 °F. TCC ( 72.22 °C. ) |
| logP (o/w) | 3.636 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | < 2 |
| Odor Description |
at 100.00 %. at 1.00 %. Green, fruity, sweet Green, fruity, leafy odor brings green effect in herbal note Powerful fruity green leafy
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
green oily fruity tropical cortex ripe grassy at 1.00 - 10.00 ppm. green
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for (E)-2-hexen-1-yl butyrate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 5.60 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 4.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1700 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 7.20000 |
| beverages(nonalcoholic) | 5.00000 |
| beverages(alcoholic) | 5.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 20.00000 |
| condiments / relishes | - |
| confectionery froastings | 10.00000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 5.00000 |
| fruit ices | - |
| gelatins / puddings | 5.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 10.00000 |
| imitation dairy | 5.00000 |
| instant coffee / tea | - |
| jams / jellies | 0.50000 |
| meat products | - |
| milk products | 5.00000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | 10.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | 0.50000 |
| Dairy products, excluding products of category 02.0 (01.0) | 5.70000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 1.50000 |
| Edible ices, including sherbet and sorbet (03.0) | - |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | 5.00000 |
| Confectionery (05.0) | 5.50000 |
| Chewing gum (05.3) | 6.02000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 4.80000 |
| Bakery wares (07.0) | 5.00000 |
| Meat and meat products, including poultry and game (08.0) | 0.90000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | - |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 2.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 2.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 1.00000 |
| Ready-to-eat savouries (15.0) | 2.50000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | - |
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