2-octen-4-one
(E)-oct-2-en-4-one
Identification
| Name | 2-octen-4-one |
| IUPAC | (E)-oct-2-en-4-one |
| CAS Number | 4643-27-0 |
| EINECS | 225-071-7 |
| FDA UNII | C9NB51LMXT |
| Molecular Formula | C8 H14 O |
| Molecular Weight | 126.19878000 |
| MDL Number | MFCD00061023 |
| Nikkaji Number | J297.862H |
| CoE Number | 2313 |
Regulatory
| JECFA Food Flavoring | 1129 2-octen-4-one |
| DG SANTE Food Flavourings | 07.082 oct-2-en-4-one |
| FEMA Number | 3603 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4643-27-0 ; 2-OCTEN-4-ONE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.83500 to 0.84200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.948 to 7.006 |
| Refractive Index | 1.44000 to 1.44600 @ 20.00 °C. |
| Boiling Point | 179.00 to 180.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.897000 mmHg @ 25.00 °C. (est) |
| Flash Point | 136.00 °F. TCC ( 57.78 °C. ) |
| logP (o/w) | 2.157 (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 |
Organoleptic Properties
| Odor Description |
at 1.00 % in dipropylene glycol. at 1.00 %. green/fruity, pineapple/tropical, dried apricot Very powerful green fruity
|
| Taste Description |
at 2.00 ppm. green reminiscent of mangos
|
Safety Information
| Preferred SDS | View |
| 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 2-octen-4-one usage levels up to | 0.2000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.85 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 3.00 (μg/capita/day) |
| Structure Class | II |
| 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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