3-hepten-2-one
N-butylidene acetone
Identification
| Name | 3-hepten-2-one |
| IUPAC | hept-3-en-2-one |
| CAS Number | 1119-44-4 |
| EINECS | 214-278-8 |
| FDA UNII | Search |
| Molecular Formula | C7 H12 O |
| Molecular Weight | 112.17184000 |
| MDL Number | MFCD00015564 |
| Nikkaji Number | J110.419E |
| CoE Number | 11094 |
Regulatory
| JECFA Food Flavoring | 1127 3-hepten-2-one |
| DG SANTE Food Flavourings | 07.105 hept-3-en-2-one |
| FEMA Number | 3400 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 1119-44-4 ; 3-HEPTEN-2-ONE |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.84100 to 0.84700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.998 to 7.048 |
| Refractive Index | 1.43900 to 1.44800 @ 20.00 °C. |
| Boiling Point | 63.00 °C. @ 13.00 mm Hg, 85.00 °C. @ 66.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 2.703000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 120.00 °F. TCC ( 48.89 °C. ) |
| logP (o/w) | 1.670 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | > 1 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Sweet, fruity, ketonic, cheesy, with a green woody nuance A powerful, green grassy, caraway note
|
| Taste Description |
at 10.00 ppm. creamy
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| 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 3-hepten-2-one usage levels up to | 0.5000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.16 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.07 (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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Potential Uses
Natural Occurrence
Synonyms
butylidene acetone
N-
butylidene acetone
coconut ketone
coconut ketone 10% in EtOH
coconut ketone solution
hept-3-en-2-one
ketone, methyl pentenyl
methyl pentenyl ketone
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