butyl phenyl acetate
butyl phenylacetate
Identification
| Name | butyl phenyl acetate |
| IUPAC | butyl 2-phenylacetate |
| CAS Number | 122-43-0 |
| EINECS | 204-543-6 |
| FDA UNII | TR6RZ109SI |
| Molecular Formula | C12 H16 O2 |
| Molecular Weight | 192.25792000 |
| MDL Number | MFCD00048774 |
| Nikkaji Number | J74.784J |
| Beilstein | 2046682 |
| CoE Number | 2159 |
| XlogP3 | 3.20 (est) |
Regulatory
| JECFA Food Flavoring | 1012 butyl phenylacetate |
| DG SANTE Food Flavourings | 09.787 butyl phenylacetate |
| FEMA Number | 2209 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 122-43-0 ; BUTYL PHENYLACETATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.99000 to 0.99700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.238 to 8.296 |
| Refractive Index | 1.48600 to 1.49300 @ 20.00 °C. |
| Boiling Point | 133.00 to 135.00 °C. @ 15.00 mm Hg, 258.00 to 260.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.011000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 3.439 (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 | 348 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Honey, sweet, floral, cocoa and hay-like
|
| Odor sample from | Givaudan Corporation |
| Taste Description | at 5.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 12 % 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 butyl phenyl acetate usage levels up to | 12.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 2.40 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 3.00 (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 | - |
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Potential Uses
Natural Occurrence
Synonyms
acetic acid, phenyl-, butyl ester
benzene acetic acid butyl ester
benzeneacetic acid butyl ester
benzeneacetic acid, butyl ester
butyl 2-phenylacetate
butyl 2-phenylethanoate
butyl a-toluate
butyl alpha-toluate
butyl benzene acetate
butyl benzeneacetate
N-
butyl phenyl acetate
butyl phenyl ethanoate
butyl phenylacetate
N-
butyl phenylacetate
butyl phenylacetate FCC
butyl phenylethanoate
butyl-phenylacetate FCC
phenyl acetic acid butyl ester
phenyl ethanoic acid butyl ester
phenylacetic acid butyl ester
2-
phenylacetic acid butyl ester
phenylethanoic acid butyl ester
PubMed:
Changes in volatile compound composition of Antrodia camphorata during solid state fermentation.
PubMed:
Synthesis of flavor and fragrance esters using Candida antarctica lipase.