2-heptanone
methyl amyl ketone
Identification
| Name | 2-heptanone |
| IUPAC | heptan-2-one |
| CAS Number | 110-43-0 |
| EINECS | 203-767-1 |
| FDA UNII | 89VVP1B008 |
| Molecular Formula | C7 H14 O |
| Molecular Weight | 114.18778000 |
| MDL Number | MFCD00009513 |
| Nikkaji Number | J5.091A |
| Beilstein | 1699063 |
| CoE Number | 136 |
| XlogP3 | 2.00 (est) |
Regulatory
| JECFA Food Flavoring | 283 2-heptanone |
| DG SANTE Food Flavourings | 07.002 heptan-2-one |
| FEMA Number | 2544 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 110-43-0 ; 2-HEPTANONE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.81400 to 0.81900 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.773 to 6.815 |
| Refractive Index | 1.40800 to 1.41500 @ 20.00 °C. |
| Melting Point | -26.90 °C. @ 760.00 mm Hg |
| Boiling Point | 149.00 to 150.00 °C. @ 760.00 mm Hg, 151.00 °C. @ 2.60 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 4.732000 mmHg @ 25.00 °C. (est) |
| Flash Point | 117.00 °F. TCC ( 47.22 °C. ) |
| logP (o/w) | 1.980 |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | cream |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | > 4 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Cheese, fruity, ketonic, green banana, with a creamy nuance fruity, spicy, cinnamon-like fruity spicy sweet herbal coconut woody herb wine chemical fruit spicy cinnamon Fruity Spicy Cinnamon-Like
|
| Odor sample from | CA Aromatics Company Inc. |
| Taste Description |
at 20.00 ppm. Characteristic blue cheese, fermented Very characteristic blue cheese note
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 [sex: M] 1670 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 12600 ul/kg |
| Inhalation Toxicity | inhalation-rat LCLo 4000 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 2-heptanone usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 96.00 (μg/capita/day) |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | 10.00000 |
| 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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