4-methyl-2-oxovaleric acid
4-methyl-2-oxopentanoic acid
Identification
| Name | 4-methyl-2-oxovaleric acid |
| IUPAC | 4-methyl-2-oxopentanoic acid |
| CAS Number | 816-66-0 |
| EINECS | 212-435-5 |
| FDA UNII | 4GUJ8AH400 |
| Molecular Formula | C6 H10 O3 |
| Molecular Weight | 130.14330000 |
| MDL Number | MFCD00066204 |
| Nikkaji Number | J39.557I |
| Beilstein | 1701823 |
| CoE Number | 2263 |
Regulatory
| JECFA Food Flavoring | 633 4-methyl-2-oxopentanoic acid |
| DG SANTE Food Flavourings | 08.052 4-methyl-2-oxovaleric acid |
| FEMA Number | 3871 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 816-66-0 ; 4-METHYL-2-OXOPENTANOIC ACID |
Physical Properties
| Appearance | pale yellow green clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.05300 to 1.05800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.762 to 8.804 |
| Refractive Index | 1.43200 to 1.44200 @ 20.00 °C. |
| Melting Point | 8.00 to 10.00 °C. @ 760.00 mm Hg |
| Boiling Point | 251.00 °C. @ 760.00 mm Hg, 82.00 to 83.00 °C. @ 11.00 mm Hg |
| Vapor Pressure | 0.239000 mmHg @ 25.00 °C. (est) |
| Flash Point | 182.00 °F. TCC ( 83.33 °C. ) |
| logP (o/w) | 0.133 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | refrigerate in tightly sealed containers. |
| Soluble in | water, 1.676e+005 mg/L @ 25 °C (est) |
Organoleptic Properties
| Odor Description | fruity |
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 | flavoring agents |
| Recommendation for 4-methyl-2-oxovaleric acid usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| baked goods | - |
| beverages(nonalcoholic) | 0.05000 |
| beverages(alcoholic) | 1.00000 |
| breakfast cereal | - |
| cheese | 1.00000 |
| chewing gum | 0.50000 |
| condiments / relishes | 1.00000 |
| confectionery froastings | 1.00000 |
| egg products | - |
| fats / oils | 0.50000 |
| fish products | - |
| frozen dairy | 0.50000 |
| fruit ices | 1.00000 |
| gelatins / puddings | 0.50000 |
| granulated sugar | - |
| gravies | 1.00000 |
| hard candy | 0.10000 |
| imitation dairy | 0.50000 |
| instant coffee / tea | 0.10000 |
| jams / jellies | 1.00000 |
| meat products | - |
| milk products | 1.00000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | 0.10000 |
| processed vegetables | 0.10000 |
| reconstituted vegetables | - |
| seasonings / flavors | 50.00000 |
| snack foods | - |
| soft candy | 0.30000 |
| soups | 1.00000 |
| sugar substitutes | 0.50000 |
| sweet sauces | 1.00000 |
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Potential Uses
Natural Occurrence
Synonyms
a-ketoiso
caproic acid
alpha-ketoiso
caproic acid
2-keto-4-
methyl pentanoic acid
4-
methyl-2-oxo-pentanoic acid
4-
methyl-2-oxo-valeric acid
4-
methyl-2-oxopentanoic acid
4-
methyl-2-oxovalericacid
2-oxo-4-
methylpentanoic acid
2-keto-4-
methylvaleric acid
2-oxo-4-
methylvaleric acid
pentanoic acid, 4-methyl-2-oxo-
iso
propylpyruvic acid
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