heptyl octanoate
heptyl caprylate
Identification
| Name | heptyl octanoate |
| IUPAC | heptyl octanoate |
| CAS Number | 4265-97-8 |
| EINECS | 224-252-8 |
| FDA UNII | RV47OTT39J |
| Molecular Formula | C15 H30 O2 |
| Molecular Weight | 242.40250000 |
| Nikkaji Number | J115.087A |
| CoE Number | 399 |
| XlogP3 | 5.90 (est) |
Regulatory
| JECFA Food Flavoring | 176 heptyl octanoate |
| DG SANTE Food Flavourings | 09.118 heptyl octanoate |
| FEMA Number | 2553 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4265-97-8 ; HEPTYL OCTANOATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | -10.00 °C. @ 760.00 mm Hg |
| Boiling Point | 160.00 °C. @ 14.00 mm Hg, 291.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point | 266.00 °F. TCC ( 130.00 °C. ) |
| logP (o/w) | 6.390 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description |
at 100.00 %. Waxy, fruity, fatty, green with a musty tropical nuance
|
| Taste Description | at 50.00 ppm. |
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 heptyl octanoate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.71 (μg/capita/day) |
| baked goods | - |
| beverages(nonalcoholic) | - |
| 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 | - |
| 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
heptyl caprylate
heptyl octylate
heptyl-caprylate (heptyl-octanoate)
octanoic acid heptyl ester
octanoic acid, heptyl ester
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