3-benzyl-4-heptanone
3-(phenylmethyl)-4-heptanone
Identification
| Name | 3-benzyl-4-heptanone |
| IUPAC | 3-benzylheptan-4-one |
| CAS Number | 7492-37-7 |
| EINECS | 231-317-4 |
| FDA UNII | 64UYT55005 |
| Molecular Formula | C14 H20 O |
| Molecular Weight | 204.31260000 |
| MDL Number | MFCD01210430 |
| Nikkaji Number | J71.684G |
| Beilstein | 2262221 |
| CoE Number | 2140 |
Regulatory
| JECFA Food Flavoring | 830 3-benzyl-4-heptanone |
| DG SANTE Food Flavourings | 07.070 3-benzylheptan-4-one |
| FEMA Number | 2146 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 7492-37-7 ; 3-BENZYL-4-HEPTANONE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear oily liquid (est) |
| Assay | 99.00 to 100.00 |
| Additional Assay Information | racemate |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.93100 to 0.93700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.747 to 7.797 |
| Refractive Index | 1.49000 to 1.49500 @ 20.00 °C. |
| Boiling Point | 158.00 to 160.00 °C. @ 10.00 mm Hg |
| Vapor Pressure | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point | 226.00 °F. TCC ( 107.90 °C. ) (est) |
| logP (o/w) | 3.845 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 133 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Fruity, berry, woody with a herbal and minty nuance Fruity, Berry, Herbal, Woody, Raisin
|
| Odor sample from | Alfrebro LLC/ Archer Daniels Midland Company |
| Taste Description |
fruity waxy foliage floral dried fruit minty berry raisin cocoa at 50.00 ppm.
|
Safety Information
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M,F] 4400 mg/kg |
| 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-benzyl-4-heptanone usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.05 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 1.00 (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 | - |
Alfrebro LLC/ Archer Daniels Midland Company
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Potential Uses
Natural Occurrence
Synonyms
benzyl dipropyl ketone
1-
benzyl dipropyl ketone
3-
benzyl heptan-4-one
1-
benzyldipropyl ketone
3-
benzylheptan-4-one
4-
heptanone, 3-(phenylmethyl)-
4-
heptanone, 3-benzyl-
morellone
3-(
phenyl methyl) heptan-4-one
3-(
phenyl methyl)-4-heptanone
1-
phenyl-2-ethyl-3-hexanone
3-(
phenylmethyl)-4-heptanone
3-(
phenylmethyl)heptan-4-one
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