phenethyl senecioate
2-phenylethyl 3-methylcrotonate
Identification
| Name | phenethyl senecioate |
| IUPAC | 2-phenylethyl 3-methylbut-2-enoate |
| CAS Number | 42078-65-9 |
| EINECS | 255-649-4 |
| FDA UNII | RB4P98KP6R |
| Molecular Formula | C13 H16 O2 |
| Molecular Weight | 204.26892000 |
| Nikkaji Number | J278.324J |
| CoE Number | 246 |
| XlogP3 | 3.70 (est) |
Regulatory
| JECFA Food Flavoring | 998 phenethyl senecioate |
| DG SANTE Food Flavourings | 09.407 2-phenylethyl 3-methylcrotonate |
| FEMA Number | 2869 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 42078-65-9 ; PHENETHYL SENECIOATE |
| 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 | 1.01100 to 1.01900 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.413 to 8.479 |
| Refractive Index | 1.51400 to 1.52000 @ 20.00 °C. |
| Boiling Point | 285.00 to 287.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.000776 mmHg @ 25.00 °C. (est) |
| Flash Point | 334.00 °F. TCC ( 167.78 °C. ) |
| logP (o/w) | 4.060 (est) |
| Soluble in | alcohol |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 100.00 %. |
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 |
| Recommendation for phenethyl senecioate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.30 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | ND (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
2-
butenoic acid, 3-methyl-, 2-phenethyl ester
2-
butenoic acid, 3-methyl-, 2-phenylethyl ester
3-
methyl-2-butenoic acid 2-phenethyl ester
3-
methyl-2-butenoic acid, 2-phenylethyl ester
phenethyl 3-methyl but-2-enoate
phenethyl 3-methyl crotonate
phenethyl 3-methylbut-2-enoate
phenethyl 3-methylcrotonate
phenethyl 3,3-dimethyl acrylate
phenethyl 3,3-dimethylacrylate
2-
phenethyl senecioate
2-
phenyl ethyl 3-methyl-2-butenoate
phenyl ethyl beta,beta-dimethyl acrylate
phenyl ethyl senecioate
2-
phenylethyl 3-methyl-2-butenoate
2-
phenylethyl 3-methylbut-2-enoate
2-
phenylethyl 3-methylcrotonate
phenylethyl beta,beta-dimethylacrylate
2-
phenylethyl senecioate
phenylethyl-senecioate
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