2-methyl heptanoic acid
2-methylheptanoic acid
Identification
| Name | 2-methyl heptanoic acid |
| IUPAC | 2-methylheptanoic acid |
| CAS Number | 1188-02-9 |
| EINECS | 214-704-2 |
| FDA UNII | 42C9131FOZ |
| Molecular Formula | C8 H16 O2 |
| Molecular Weight | 144.21392000 |
| MDL Number | MFCD00142944 |
| Nikkaji Number | J203.450F |
| CoE Number | 2003 |
| XlogP3 | 2.90 (est) |
Regulatory
| JECFA Food Flavoring | 1212 2-methylheptanoic acid |
| DG SANTE Food Flavourings | 08.047 2-methylheptanoic acid |
| FEMA Number | 2706 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 1188-02-9 ; 2-METHYLHEPTANOIC ACID |
| 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 | 97.00 to 100.00 |
| Additional Assay Information | racemate |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.90700 to 0.90900 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.556 to 7.573 |
| Refractive Index | 1.42400 to 1.42600 @ 20.00 °C. |
| Melting Point | 15.00 °C. @ 760.00 mm Hg |
| Boiling Point | 140.00 °C. @ 30.00 mm Hg, 121.00 to 122.00 °C. @ 13.00 mm Hg |
| Vapor Pressure | 0.018000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 2.579 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 1.00 % in propylene glycol. Waxy, green, cheesy and sweaty Waxy green cheese sweaty butter milk
|
| Taste Description | at 40.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| 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 |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 14.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 6.00 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| 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 | - |
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