(Z)-3-hexen-1-yl phenyl acetate
3-hexenyl phenylacetate
Identification
| Name | (Z)-3-hexen-1-yl phenyl acetate |
| IUPAC | [(Z)-hex-3-enyl] 2-phenylacetate |
| CAS Number | 42436-07-7 |
| EINECS | 255-826-6 |
| FDA UNII | 8XZ0MZ4575 |
| Molecular Formula | C14 H18 O2 |
| Molecular Weight | 218.29586000 |
| MDL Number | MFCD00036531 |
| Nikkaji Number | J73.248F |
| Beilstein | 3266406 |
| CoE Number | 10682 |
| XlogP3 | 3.70 (est) |
Regulatory
| JECFA Food Flavoring | 1016 3-hexenyl phenylacetate |
| DG SANTE Food Flavourings | 09.805 3-hexenyl phenylacetate |
| FEMA Number | 3633 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 42436-07-7 ; 3-HEXENYL PHENYLACETATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear viscous liquid (est) |
| Assay | 95.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.99600 to 1.00400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.288 to 8.354 |
| Refractive Index | 1.49700 to 1.50400 @ 20.00 °C. |
| Boiling Point | 297.00 to 299.00 °C. @ 760.00 mm Hg, 133.00 to 134.00 °C. @ 4.00 mm Hg |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 220.00 °F. TCC ( 104.44 °C. ) |
| logP (o/w) | 4.035 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 171 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Green, floral, vegetable, tropical and melon-like nuances Floral, honey, green Sweet green-rosy odor, woody undertone Sweet green-rosy odor with a woody undertone
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
at 15.00 ppm. waxy green
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| 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 (Z)-3-hexen-1-yl phenyl acetate usage levels up to | 12.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.73 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.05 (μg/capita/day) |
| Structure Class | I |
| 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 | - |
Bedoukian Research, Inc.
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Potential Uses
Natural Occurrence
Synonyms
benzene acetic acid (3Z)-3-hexen-1-yl ester
(Z)-
benzene acetic acid 3-hexen-1-yl ester
benzeneacetic acid, (3Z)-3-hexen-1-yl ester
benzeneacetic acid, (3Z)-3-hexenyl ester
benzeneacetic acid, 3-hexenyl ester, (Z)-
(3Z)-
hex-3-en-1-yl phenylacetate
(Z)-
hex-3-enyl phenyl acetate
cis-
hex-3-enyl phenyl acetate
(Z)-
hex-3-enyl phenylacetate
[(Z)-
hex-3-enyl] 2-phenylacetate
3-
hexen-1-yl alpha-toluate
beta,gamma-
hexen-1-yl alpha-toluate
(Z)-3-
hexen-1-yl benzene acetate
(Z)-3-
hexen-1-yl phenyl acetate
3-
hexen-1-yl phenyl acetate
cis-3-
hexen-1-yl phenyl acetate
cis-3-
hexen-1-yl phenylacetate
3-
hexenyl benzeneacetate, (Z)-
3-
hexenyl benzeneacetate, cis-
(Z)-3-
hexenyl phenyl acetate
C3
hexenyl phenyl acetate
cis-3-
hexenyl phenyl acetate
(Z)-3-
hexenyl phenylacetate
cis-3-
hexenyl phenylacetate
phenylacetic acid cis-3-hexen-1-yl ester
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