(E)-2-hexen-1-yl octanoate
trans-2-hexenyl octanoate
Identification
| Name | (E)-2-hexen-1-yl octanoate |
| CAS Number | 85554-72-9 |
| EINECS | 287-605-5 |
| FDA UNII | Q58DSI91MM |
| Molecular Formula | C14 H26 O2 |
| Molecular Weight | 226.35962000 |
| Nikkaji Number | J310.676D |
Regulatory
| JECFA Food Flavoring | 1796 (E)-2-hexenyl octanoate |
| DG SANTE Food Flavourings | 09.841 2-hexenyl octanoate |
| FEMA Number | 4135 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 85554-72-9 ; 2-HEXENYL OCTANOATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.88100 to 0.88700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.331 to 7.381 |
| Refractive Index | 1.44800 to 1.45300 @ 20.00 °C. |
| Boiling Point | 308.00 to 309.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point | 196.00 °F. TCC ( 91.11 °C. ) |
| logP (o/w) | 5.768 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | pear |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| 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 (E)-2-hexen-1-yl octanoate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | ND (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 | 10.00000 |
| beverages(nonalcoholic) | 5.00000 |
| beverages(alcoholic) | - |
| breakfast cereal | 5.00000 |
| cheese | 7.00000 |
| chewing gum | - |
| condiments / relishes | 5.00000 |
| confectionery froastings | 10.00000 |
| egg products | - |
| fats / oils | 5.00000 |
| fish products | 2.00000 |
| frozen dairy | 7.00000 |
| fruit ices | 10.00000 |
| gelatins / puddings | 5.00000 |
| granulated sugar | - |
| gravies | 20.00000 |
| hard candy | - |
| imitation dairy | 7.00000 |
| instant coffee / tea | - |
| jams / jellies | 5.00000 |
| meat products | 2.00000 |
| milk products | 7.00000 |
| nut products | - |
| other grains | 5.00000 |
| poultry | 2.00000 |
| processed fruits | 7.00000 |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 5.00000 |
| snack foods | 10.00000 |
| soft candy | - |
| soups | 5.00000 |
| sugar substitutes | - |
| sweet sauces | 5.00000 |
| 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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Potential Uses
Natural Occurrence
Synonyms
ctanoic acid, 2-hexenyl ester, (E)-
[(E)-
hex-2-enyl] octanoate
trans-2-
hexen-1-yl octanoate
trans-2-
hexenyl N-octanoate
(E)-2-
hexenyl octanoate
trans-2-
hexenyl octanoate
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