5-methyl-5-hexen-2-one
5-hexen-2-one, 5-methyl-
Identification
| Name | 5-methyl-5-hexen-2-one |
| IUPAC | 5-methylhex-5-en-2-one |
| CAS Number | 3240-09-3 |
| EINECS | 221-807-6 |
| FDA UNII | 6OVV4Q22O6 |
| Molecular Formula | C7 H12 O |
| Molecular Weight | 112.17184000 |
| MDL Number | MFCD00014995 |
| Nikkaji Number | J262.347A |
| CoE Number | 11150 |
Regulatory
| JECFA Food Flavoring | 1119 5-methyl-5-hexen-2-one |
| DG SANTE Food Flavourings | 07.100 5-methylhex-5-en-2-one |
| FEMA Number | 3365 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 3240-09-3 ; 5-METHYL-5-HEXEN-2-ONE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86200 to 0.86800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.173 to 7.223 |
| Refractive Index | 1.42800 to 1.43300 @ 20.00 °C. |
| Boiling Point | 148.00 to 149.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 4.453000 mmHg @ 25.00 °C. (est) |
| Flash Point | 108.00 °F. TCC ( 42.22 °C. ) |
| logP (o/w) | 1.439 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 1 hour(s) at 100.00 % |
| Odor Description | at 10.00 % in dipropylene glycol. |
| Odor sample from | Sigma-Aldrich, Inc.: Aldrich |
| Taste Description | ethereal fruity tropical green banana vegetable |
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 5-methyl-5-hexen-2-one usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.24 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.30 (μg/capita/day) |
| Threshold of Concern | 540 (μg/person/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
5-
hexen-2-one, 5-methyl-
5-
methyl hex-5-en-2-one
5-
methylhex-5-en-2-one
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