3-isopropenyl-6-oxoheptanoic acid
6-oxo-3-prop-1-en-2-ylheptanoic acid
Identification
| Name | 3-isopropenyl-6-oxoheptanoic acid |
| IUPAC | 6-oxo-3-prop-1-en-2-ylheptanoic acid |
| CAS Number | 4436-82-2 |
| FDA UNII | 1NC781145Q |
| Molecular Formula | C10 H16 O3 |
| Molecular Weight | 184.23512000 |
| Nikkaji Number | J1.014.517A |
Regulatory
| JECFA Food Flavoring | 1954 3-isopropenyl-6-oxoheptanoic acid |
| FEMA Number | 4461 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4436-82-2 ; 3-ISOPROPENYL-6-OXOHEPTANOIC ACID |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.00900 to 1.03900 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.406 to 8.656 |
| Refractive Index | 1.44000 to 1.48000 @ 20.00 °C. |
| Boiling Point | 328.00 to 330.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.000027 mmHg @ 25.00 °C. (est) |
| Flash Point | 336.00 °F. TCC ( 168.89 °C. ) |
| logP (o/w) | 1.270 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
Safety Information
| 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 3-isopropenyl-6-oxoheptanoic acid usage levels up to | not for fragrance use. |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 0.10000 |
| condiments / relishes | - |
| confectionery froastings | 0.05000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.05000 |
| 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 | 0.10000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
Chemical sources Association Inc
Exchange of knowledge
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Potential Uses
Natural Occurrence
Synonyms
3-(1-
methyl ethenyl)-6-oxo-heptanoic acid
3-(1-
methylethenyl)-6-oxo-heptanoic acid
6-oxo-3-(
prop-1-en-2-yl) heptanoic acid
6-oxo-3-(
prop-1-en-2-yl)heptanoic acid
6-oxo-3-
prop-1-en-2-ylheptanoic acid
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