alpha-methyl phenethyl butyrate
alpha-methylphenethyl butyrate
Identification
| Name | alpha-methyl phenethyl butyrate |
| IUPAC | 1-methyl-2-phenylethyl butanoate |
| CAS Number | 68922-11-2 |
| EINECS | 272-983-6 |
| FDA UNII | IG60Q569XB |
| Molecular Formula | C13 H18 O2 |
| Molecular Weight | 206.28486000 |
| Nikkaji Number | J332.734E |
| CoE Number | 2276 |
Regulatory
| JECFA Food Flavoring | 814 alpha-methylphenethyl butyrate |
| DG SANTE Food Flavourings | 09.249 1-methyl-2-phenethyl butyrate |
| FEMA Number | 3197 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 68922-11-2 ; ALPHA-METHYLPHENETHYL BUTYRATE |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 99.00 to 100.00 |
| Additional Assay Information | racemate |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97500 to 0.98500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.113 to 8.196 |
| Refractive Index | 1.48000 to 1.48700 @ 20.00 °C. |
| Boiling Point | 138.00 to 140.00 °C. @ 10.00 mm Hg, 281.00 to 282.00 °C. @ 760.00 mm Hg (est) |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point | 226.00 °F. TCC ( 107.78 °C. ) |
| logP (o/w) | 3.709 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
Safety Information
| 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 |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/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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Exchange of knowledge
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Potential Uses
Natural Occurrence
Synonyms
butanoic acid 1-methyl-2-phenyl ethyl ester
butanoic acid, 1-methyl-2-phenylethyl ester
methyl benzyl carbinyl butyrate
1-
methyl-2-phenethyl butyrate
1-
methyl-2-phenyl ethyl butanoate
1-
methyl-2-phenyl ethyl butyrate
1-
methyl-2-phenylethyl butyrate
alpha-
methylphenethyl butyrate
1-
phenyl-2-propyl butyrate
1-
phenylpropan-2-yl butyrate
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