(Z)-3-hexen-1-yl hexanoate
cis-3-hexenyl hexanoate
Identification
| Name | (Z)-3-hexen-1-yl hexanoate |
| IUPAC | [(Z)-hex-3-enyl] hexanoate |
| CAS Number | 31501-11-8 |
| EINECS | 250-661-6 |
| FDA UNII | UYX8RFU917 |
| Molecular Formula | C12 H22 O2 |
| Molecular Weight | 198.30574000 |
| MDL Number | MFCD00036552 |
| Nikkaji Number | J118.171H |
| Beilstein | 2326469 |
| CoE Number | 11779 |
Regulatory
| JECFA Food Flavoring | 165 cis-3-hexenyl hexanoate |
| DG SANTE Food Flavourings | 09.271 (Z)-hex-3-enyl hexanoate |
| FEMA Number | 3403 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 31501-11-8 ; CIS-3-HEXENYL HEXANOATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.87500 to 0.88300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.281 to 7.347 |
| Refractive Index | 1.43300 to 1.43900 @ 20.00 °C. |
| Boiling Point | 115.00 °C. @ 15.00 mm Hg, 222.00 to 224.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.016000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 6.8 ( Air = 1 ) |
| Flash Point | 220.00 °F. TCC ( 104.44 °C. ) |
| logP (o/w) | 4.438 (est) |
| Shelf Life | 18.00 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 | 8 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. at 2.00 %. Fruity, green pear-like odor with vegetable notes Fruity, pear POWERFUL, DIFFUSIVE FRUITY-GREEN Fruity green diffusive odor with lifting effect in herbal fragrances Fruity, pear
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
at 5.00 ppm. Sweet, green, herbal, creamy notes of Bartlett pear green, fruity pear fruity and tropical notes
|
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 (Z)-3-hexen-1-yl hexanoate usage levels up to | 12.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.21 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 3724 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/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 | - |
| Dairy products, excluding products of category 02.0 (01.0) | 7.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 5.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 10.00000 |
| Processed fruit (04.1) | 7.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 10.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 5.00000 |
| Bakery wares (07.0) | 10.00000 |
| Meat and meat products, including poultry and game (08.0) | 2.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 2.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 5.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 10.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 5.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | - |
| Ready-to-eat savouries (15.0) | 20.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 5.00000 |
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