methyl 4-phenyl butyrate
methyl 4-phenylbutyrate
Identification
| Name | methyl 4-phenyl butyrate |
| IUPAC | methyl 4-phenylbutanoate |
| CAS Number | 2046-17-5 |
| EINECS | 218-067-1 |
| FDA UNII | YMR11U800F |
| Molecular Formula | C11 H14 O2 |
| Molecular Weight | 178.23098000 |
| MDL Number | MFCD00043756 |
| Nikkaji Number | J47.060K |
| CoE Number | 308 |
| XlogP3 | 2.80 (est) |
Regulatory
| JECFA Food Flavoring | 1464 methyl 4-phenylbutyrate |
| DG SANTE Food Flavourings | 09.729 methyl 4-phenylbutyrate |
| FEMA Number | 2739 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2046-17-5 ; METHYL 4-PHENYLBUTYRATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.99600 to 1.00200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.288 to 8.338 |
| Refractive Index | 1.48300 to 1.48900 @ 20.00 °C. |
| Boiling Point | 258.00 to 259.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.013000 mmHg @ 25.00 °C. (est) |
| Flash Point | 233.00 °F. TCC ( 111.67 °C. ) |
| logP (o/w) | 2.770 |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 100.00 %. |
| Taste Description | fruity |
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 | flavoring agents |
| Recommendation for methyl 4-phenyl butyrate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.01 (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
benzene butanoic acid methyl ester
benzenebutanoic acid, methyl ester
butyric acid, 4-phenyl-, methyl ester
methyl 4-phenyl butanoate
methyl 4-phenylbutanoate
methyl 4-phenylbutyrate
methyl benzene butanoate
methyl gamma-phenyl butyrate
methyl-4-phenyl butyrate
4-
phenyl butyric acid methyl ester
4-
phenylbutyric acid methyl ester
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