methyl octanoate
methyl caprylate
Identification
| Name | methyl octanoate |
| IUPAC | methyl octanoate |
| CAS Number | 111-11-5 |
| EINECS | 203-835-0 |
| FDA UNII | 7MO740X6QL |
| Molecular Formula | C9 H18 O2 |
| Molecular Weight | 158.24086000 |
| MDL Number | MFCD00009551 |
| Nikkaji Number | J1.983F |
| Beilstein | 1752270 |
| CoE Number | 398 |
| XlogP3 | 3.60 (est) |
Regulatory
| JECFA Food Flavoring | 173 methyl octanoate |
| DG SANTE Food Flavourings | 09.117 methyl octanoate |
| FEMA Number | 2728 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 111-11-5 ; METHYL OCTANOATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.87200 to 0.88200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.256 to 7.339 |
| Refractive Index | 1.41200 to 1.42200 @ 20.00 °C. |
| Melting Point | -40.00 °C. @ 760.00 mm Hg |
| Boiling Point | 194.00 to 195.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.523000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 5.4 ( Air = 1 ) |
| Flash Point | 163.00 °F. TCC ( 72.78 °C. ) |
| logP (o/w) | 3.333 (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 %. Waxy, green, sweet, orange and aldehydic with vegetative and herbal nuances Green, Fruity POWERFUL, WINEY, FRUITY
|
| Taste Description |
at 20.00 ppm. OILY, SOMEWHAT ORANGE TASTE
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | intravenous-mouse LDLo 48 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 | cosmetic, flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for methyl octanoate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 9.70 (μg/capita/day) |
| baked goods | 1.00000 |
| beverages(nonalcoholic) | 0.02000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 1.00000 |
| fruit ices | 1.00000 |
| 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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