isopropyl hexanoate
hexanoic acid, isopropyl ester
Identification
| Name | isopropyl hexanoate |
| IUPAC | propan-2-yl hexanoate |
| CAS Number | 2311-46-8 |
| EINECS | 219-000-9 |
| FDA UNII | 84AO2UI60U |
| Molecular Formula | C9 H18 O2 |
| Molecular Weight | 158.24086000 |
| MDL Number | MFCD00059436 |
| Nikkaji Number | J149.309D |
| CoE Number | 312 |
Regulatory
| JECFA Food Flavoring | 308 isopropyl hexanoate |
| DG SANTE Food Flavourings | 09.062 isopropyl hexanoate |
| FEMA Number | 2950 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2311-46-8 ; ISOPROPYL HEXANOATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 172.00 to 173.00 °C. @ 760.00 mm Hg, 74.00 °C. @ 20.00 mm Hg |
| Vapor Pressure | 1.090000 mmHg @ 25.00 °C. (est) |
| Flash Point | 120.00 °F. TCC ( 48.89 °C. ) |
| logP (o/w) | 3.177 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 10.00 % in dipropylene glycol. SWEET, FRUITY. PINEAPPLE
|
| Taste Description |
berry berry
|
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 |
| Recommendation for isopropyl hexanoate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.20 (μg/capita/day) |
| baked goods | 20.00000 |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 5.50000 |
| fruit ices | 5.50000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 20.00000 |
| 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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Potential Uses
Natural Occurrence
Synonyms
caproic acid isopropyl ester
hexanoic acid 1-methyl ethyl ester
hexanoic acid 1-methylethyl ester
hexanoic acid isopropyl ester
hexanoic acid, 1-methylethyl ester
hexanoic acid, isopropyl ester
1-
methyl ethyl hexanoate
1-
methylethyl hexanoate
propan-2-yl hexanoate
iso
propyl caproate
iso
propyl capronate
iso
propyl hexylate
iso-
propyl-caproate (iso-propylhexanoate)
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