(E)-6-methyl-3-hepten-2-one
(6E)-methyl-3-hepten-2-one
Identification
| Name | (E)-6-methyl-3-hepten-2-one |
| IUPAC | (E)-6-methylhept-3-en-2-one |
| CAS Number | 20859-10-3 |
| FDA UNII | UCK6O61TJ3 |
| Molecular Formula | C8 H14 O |
| Molecular Weight | 126.19878000 |
| Nikkaji Number | J1.437.462K |
Regulatory
| JECFA Food Flavoring | 1138 (E)-6-methyl-3-hepten-2-one |
| DG SANTE Food Flavourings | 07.244 (6E)-methyl-3-hepten-2-one |
| FEMA Number | 4001 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 20859-10-3 ; 6-METHYL-3-HEPTEN-2-ONE, TRANS- |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.84000 to 0.85000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.990 to 7.073 |
| Refractive Index | 1.43800 to 1.44700 @ 20.00 °C. |
| Boiling Point | 170.00 to 178.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.962000 mmHg @ 25.00 °C. (est) |
| Flash Point | 145.00 °F. TCC ( 62.78 °C. ) |
| logP (o/w) | 1.973 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 1.00 % in dipropylene glycol. Tropical fruit, banana taffy
|
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)-6-methyl-3-hepten-2-one usage levels up to | 0.4000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.40 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 3.00 (μg/capita/day) |
| Structure Class | II |
| baked goods | 3.00000 |
| beverages(nonalcoholic) | 1.00000 |
| beverages(alcoholic) | 1.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 2.00000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 2.00000 |
| imitation dairy | 1.00000 |
| 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 | 1.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
3-
hepten-2-one, 6-methyl-, (3E)-
methyl 3 hepten 2 one
(E)-6-
methyl hept-3-en-2-one
trans-6-
methyl hept-3-en-2-one
(6E)-
methyl-3-hepten-2-one
trans-6-
methyl-3-hepten-2-one
(3E)-6-
methylhept-3-en-2-one
(E)-6-
methylhept-3-en-2-one
trans-6-
methylhept-3-en-2-one
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