4-phenyl-2-butyl acetate
1-methyl-3-phenylpropyl acetate
Identification
| Name | 4-phenyl-2-butyl acetate |
| IUPAC | 4-[(2S)-4-phenylbutan-2-yl] acetate |
| EINECS | 233-890-6 |
| FDA UNII | Search |
| Molecular Formula | C12 H16 O2 |
| Molecular Weight | 192.25792000 |
| MDL Number | MFCD00026203 |
| Nikkaji Number | J1.309.623F |
| CoE Number | 671 |
Regulatory
| JECFA Food Flavoring | 816 4-phenyl-2-butyl acetate |
| DG SANTE Food Flavourings | 09.200 1-methyl-3-phenylpropyl acetate |
| FEMA Number | 2882 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 10415-88-0 ; 4-PHENYL-2-BUTYL ACETATE |
| 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 |
| Additional Assay Information | racemate |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97500 to 0.98000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.113 to 8.155 |
| Refractive Index | 1.49800 to 1.50500 @ 20.00 °C. |
| Boiling Point | 123.00 to 124.00 °C. @ 13.00 mm Hg, 130.00 °C. @ 15.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point | 235.00 °F. TCC ( 112.78 °C. ) |
| logP (o/w) | 3.200 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Preferred SDS | View |
| 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 4-phenyl-2-butyl acetate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 6.10 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 7.00 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 0.50000 |
| beverages(nonalcoholic) | 0.10000 |
| 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
benzenepropanol, a-methyl-, acetate
2-
butanol, 4-phenyl-, acetate
alpha-
methyl benzene propanol acetate
1-
methyl-3-phenylpropyl acetate
a-
methylbenzenepropanol acetate
4-
phenyl but-2-yl acetate
phenyl ethyl methyl carbinyl acetate
4-
phenyl-2-butanol acetate
1-
phenyl-3-acetoxybutane
4-
phenylbut-2-yl acetate
4-
phenylbutan-2-yl acetate
phenylethyl methyl carbinyl acetate
phenylpropanol, a-methyl, acetate
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