2-hepten-4-one
ethyl ethylidene acetone
Identification
| Name | 2-hepten-4-one |
| IUPAC | hept-2-en-4-one |
| CAS Number | 4643-25-8 |
| EINECS | 225-070-1 |
| FDA UNII | RSJ7CM9MIK |
| Molecular Formula | C7 H12 O |
| Molecular Weight | 112.17184000 |
| Nikkaji Number | J297.861J |
| CoE Number | 11093 |
Regulatory
| JECFA Food Flavoring | 1126 2-hepten-4-one |
| DG SANTE Food Flavourings | 07.104 hept-2-en-4-one |
| FEMA Number | 3399 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4643-25-8 ; 2-HEPTEN-4-ONE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.84500 to 0.85200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.031 to 7.089 |
| Refractive Index | 1.44000 to 1.44500 @ 20.00 °C. |
| Boiling Point | 156.00 to 157.00 °C. @ 760.00 mm Hg, 74.00 to 75.00 °C. @ 12.00 mm Hg |
| Vapor Pressure | 2.703000 mmHg @ 25.00 °C. (est) |
| Flash Point | 126.00 °F. TCC ( 52.22 °C. ) |
| logP (o/w) | 1.670 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
| Taste Description | asparagus |
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 | flavoring agents |
| Recommendation for 2-hepten-4-one usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | ND (μg/capita/day) |
| Structure Class | I |
| 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
1-
butyrl propylene
ethyl ethylidene acetone
hept-2-en-4-one
hepten 4 one
propenyl propyl ketone
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