isoheptyl acetate
5-methylhexyl acetate
Identification
| Name | isoheptyl acetate |
| IUPAC | 5-methylhexyl acetate |
| CAS Number | 180348-60-1 |
| FDA UNII | OL55QJ40C8 |
| Molecular Formula | C9 H18 O2 |
| Molecular Weight | 158.24086000 |
Regulatory
| FEMA Number | 4346 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 72246-17-4 ; 5-METHYLHEXYL ACETATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 175.00 to 176.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 1.090000 mmHg @ 25.00 °C. (est) |
| Flash Point | 139.00 °F. TCC ( 59.40 °C. ) (est) |
| logP (o/w) | 3.181 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 100.00 %. |
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 isoheptyl acetate usage levels up to | not for fragrance use. |
| baked goods | - |
| beverages(nonalcoholic) | 10.00000 |
| 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 | 5.00000 |
| 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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Exchange of knowledge
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Potential Uses
Natural Occurrence
Synonyms
acetic acid, C6-8-branched alkyl esters
1-
hexanol, 5-methyl-, acetate
5-
methyl hexyl acetate
5-
methylhexyl acetate
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