ethyl 3-hydroxyhexanoate
hexanoic acid, 3-hydroxy-, ethyl ester
Identification
| Name | ethyl 3-hydroxyhexanoate |
| IUPAC | ethyl 3-hydroxyhexanoate |
| CAS Number | 2305-25-1 |
| EINECS | 218-973-7 |
| FDA UNII | 2M3L6B34FF |
| Molecular Formula | C8 H16 O3 |
| Molecular Weight | 160.21312000 |
| MDL Number | MFCD00036604 |
| Nikkaji Number | J126.500H |
| CoE Number | 11764 |
Regulatory
| JECFA Food Flavoring | 601 ethyl 3-hydroxyhexanoate |
| DG SANTE Food Flavourings | 09.535 ethyl 3-hydroxyhexanoate |
| FEMA Number | 3545 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2305-25-1 ; ETHYL 3-HYDROXYHEXANOATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97000 to 0.98400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.071 to 8.188 |
| Refractive Index | 1.42600 to 1.43000 @ 20.00 °C. |
| Boiling Point | 101.00 to 102.00 °C. @ 14.00 mm Hg, 85.00 to 90.00 °C. @ 10.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.006000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 5.5 ( Air = 1 ) |
| Flash Point | 202.00 °F. TCC ( 94.44 °C. ) |
| logP (o/w) | 1.117 (est) |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | > 24 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Fruity, grape, green, sweet, hay like with citrus nuances A smoky, leathery, fatty odor with cheesy and fruity nuances Powerful fruity, fresh, green Powerful fruity, fresh, green
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
sweet fruity tropical grape grassy hay cranberry citrus at 80.00 ppm. Cheese, overripe fruit Fruity juicy taste. Useful in citrus flavours to bring juicy effect
|
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 ethyl 3-hydroxyhexanoate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 60.00 (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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