methyl heptanoate
heptanoic acid, methyl ester
Identification
| Name | methyl heptanoate |
| IUPAC | methyl heptanoate |
| CAS Number | 106-73-0 |
| EINECS | 203-428-8 |
| FDA UNII | 1J543V5703 |
| Molecular Formula | C8 H16 O2 |
| Molecular Weight | 144.21392000 |
| MDL Number | MFCD00009537 |
| Nikkaji Number | J388C |
| Beilstein | 1747147 |
| CoE Number | 368 |
| XlogP3 | 3.00 (est) |
Regulatory
| JECFA Food Flavoring | 167 methyl heptanoate |
| DG SANTE Food Flavourings | 09.096 methyl heptanoate |
| FEMA Number | 2705 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 106-73-0 ; METHYL HEPTANOATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86000 to 0.88000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.156 to 7.322 |
| Refractive Index | 1.40900 to 1.42400 @ 20.00 °C. |
| Melting Point | -56.00 to -55.00 °C. @ 760.00 mm Hg |
| Boiling Point | 174.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.430000 mmHg @ 25.00 °C. (est) |
| Flash Point | 127.00 °F. TCC ( 52.78 °C. ) |
| logP (o/w) | 2.823 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 100.00 %. Sweet, fruity and green, with a waxy apple like note
|
| Taste Description | at 35.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 methyl heptanoate usage levels up to | 0.0500 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 5.70 (μg/capita/day) |
| baked goods | 0.50000 |
| 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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