hexyl heptanoate
heptanoic acid, hexyl ester
Identification
| Name | hexyl heptanoate |
| IUPAC | hexyl heptanoate |
| CAS Number | 1119-06-8 |
| FDA UNII | G02H8871NA |
| Molecular Formula | C13 H26 O2 |
| Molecular Weight | 214.34862000 |
| Nikkaji Number | J115.082K |
Regulatory
| JECFA Food Flavoring | 1872 hexyl heptanoate |
| FEMA Number | 4337 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 1119-06-8 ; HEXYL HEPTANOATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86000 to 0.86500 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.164 to 7.206 |
| Refractive Index | 1.42600 to 1.43000 @ 20.00 °C. |
| Boiling Point | 252.00 to 253.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.014000 mmHg @ 25.00 °C. (est) |
| Flash Point | 229.00 °F. TCC ( 109.44 °C. ) |
| logP (o/w) | 5.371 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for hexyl heptanoate usage levels up to | 6.0000 % in the fragrance concentrate. |
| baked goods | - |
| beverages(nonalcoholic) | 0.20000 |
| beverages(alcoholic) | 0.40000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | 0.50000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 1.00000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | 0.50000 |
| 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 | - |
M&U International LLC
Steady supply & demand
Meeting customers increasing demands at home as well as abroad.
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Potential Uses
Natural Occurrence
Synonyms
heptanoic acid hexyl ester
heptanoic acid, hexyl ester
hexyl enanthate
PubMed:
Synthesis of alkyl esters by cutinase in miniemulsion and organic solvent media.
PubMed:
Biosynthesis of straight-chain ester volatiles in red delicious and granny smith apples using deuterium-labeled precursors.