isopropyl phenyl acetate
isopropyl phenylacetate
Identification
| Name | isopropyl phenyl acetate |
| IUPAC | propan-2-yl 2-phenylacetate |
| CAS Number | 4861-85-2 |
| EINECS | 225-468-5 |
| FDA UNII | A8L7NAJ0YO |
| Molecular Formula | C11 H14 O2 |
| Molecular Weight | 178.23098000 |
| MDL Number | MFCD00051546 |
| Nikkaji Number | J260.915K |
| CoE Number | 2158 |
| XlogP3 | 2.60 (est) |
Regulatory
| JECFA Food Flavoring | 1011 isopropyl phenylacetate |
| DG SANTE Food Flavourings | 09.786 isopropyl phenylacetate |
| FEMA Number | 2956 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4861-85-2 ; ISOPROPYL PHENYLACETATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.00100 @ 25.00 °C. |
| Refractive Index | 1.49500 @ 20.00 °C. |
| Boiling Point | 157.00 to 165.00 °C. @ 12.00 mm Hg, 238.00 to 253.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.044000 mmHg @ 25.00 °C. (est) |
| Flash Point | 225.00 °F. TCC ( 107.22 °C. ) |
| logP (o/w) | 2.774 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | cream |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 100.00 %. at 1.00 %.
|
| Taste Description | at 1.00 - 5.00 ppm. |
Safety Information
| European information | Most important hazard(s): |
| 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 isopropyl phenyl acetate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.061 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | ND (μg/capita/day) |
| Structure Class | I |
| baked goods | 3.00000 |
| beverages(nonalcoholic) | 0.20000 |
| 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 | 0.50000 |
| 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-, isopropyl ester
benzene acetic acid 1-methyl ethyl ester
benzeneacetic acid 1-methylethyl ester
benzeneacetic acid, 1-methylethyl ester
1-
methyl ethyl benzene acetate
1-
methylethyl benzeneacetate
1-
methylethylbenzene acetate
phenyl acetic acid isopropyl ester
phenylacetic acid isopropyl ester
propan-2-yl 2-phenylacetate
propan-2-yl phenylacetate
iso
propyl a-toluate
iso
propyl alpha-toluate
iso
propyl phenylacetate
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