filbert hexenone
5-methyl-3-hexen-2-one
Identification
| Name | filbert hexenone |
| IUPAC | 5-methylhex-3-en-2-one |
| CAS Number | 5166-53-0 |
| EINECS | 225-950-5 |
| FDA UNII | Search |
| Molecular Formula | C7 H12 O |
| Molecular Weight | 112.17184000 |
| MDL Number | MFCD00012166 |
| Beilstein | 1720101 |
| CoE Number | 11149 |
Regulatory
| JECFA Food Flavoring | 1132 5-methyl-3-hexen-2-one |
| DG SANTE Food Flavourings | 07.106 5-methylhex-3-en-2-one |
| FEMA Number | 3409 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 5166-53-0 ; 5-METHYL-3-HEXEN-2-ONE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.83800 to 0.84300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.973 to 7.015 |
| Refractive Index | 1.43700 to 1.44100 @ 20.00 °C. |
| Boiling Point | 77.00 °C. @ 50.00 mm Hg |
| Vapor Pressure | 3.799000 mmHg @ 25.00 °C. (est) |
| Flash Point | 110.00 °F. TCC ( 43.33 °C. ) |
| logP (o/w) | 1.514 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 100.00 %. A berry-like odor with a cheese undertone
|
| Taste Description | fruity berry |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 1680 ul/kg |
| Dermal Toxicity | skin-rabbit LD50 450 ul/kg |
| Inhalation Toxicity | inhalation-rat LCLo 500 ppm/4H |
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 filbert hexenone usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (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 | - |
BOC Sciences
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Endeavour Specialty Chemicals Ltd
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Robinson Brothers Limited
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Potential Uses
Natural Occurrence
Synonyms
3-
hexen-2-one, 5-methyl-
5-
methyl hex-3-en-2-one
2-oxo-5-
methyl hex-3-ene
5-
methyl-3-hexen-2-one
5-
methylhex-3-en-2-one
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