hexyl octanoate
hexyl caprylate
Identification
| Name | hexyl octanoate |
| IUPAC | hexyl octanoate |
| CAS Number | 1117-55-1 |
| EINECS | 214-247-9 |
| FDA UNII | GU3S7YK802 |
| Molecular Formula | C14 H28 O2 |
| Molecular Weight | 228.37556000 |
| MDL Number | MFCD00048920 |
| Nikkaji Number | J65.649F |
| Beilstein | 1769635 |
| CoE Number | 394 |
| XlogP3 | 5.30 (est) |
Regulatory
| JECFA Food Flavoring | 175 hexyl octanoate |
| DG SANTE Food Flavourings | 09.113 hexyl octanoate |
| FEMA Number | 2575 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 1117-55-1 ; HEXYL OCTANOATE |
| 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 |
| Specific Gravity | 0.85700 to 0.86000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.131 to 7.156 |
| Refractive Index | 1.42700 to 1.43100 @ 20.00 °C. |
| Melting Point | -30.60 °C. @ 760.00 mm Hg |
| Boiling Point | 307.00 °C. @ 760.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 5.880 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 100.00 %. Fruity, green, waxy, berry, apple and estery Vegetable, Slightly Fruity, Sweet, Green FRESH, VEGETABLE, FRUITY fatty, fruity; apple-, banana- and strawberry-like
|
| Taste Description |
at 30.00 ppm. SWEET, GREEN, FRUITY fatty, fruity; green, apple, berry; fresh waxy nuances
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 octanoate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.30 (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
hexyl caprylate
N-
hexyl caprylate
hexyl caprylate natural
hexyl octylate
octanoic acid hexyl ester
octanoic acid, hexyl ester
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