phenethyl heptanoate
heptanoic acid, 2-phenylethyl ester
Identification
| Name | phenethyl heptanoate |
| IUPAC | 2-phenylethyl heptanoate |
| CAS Number | 5454-11-5 |
| EINECS | 226-701-3 |
| FDA UNII | Search |
| Molecular Formula | C15 H22 O2 |
| Molecular Weight | 234.33874000 |
| Nikkaji Number | J155.070E |
| CoE Number | 596 |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.03400 @ 25.00 °C. |
| Refractive Index | 1.48050 @ 25.00 °C. |
| Boiling Point | 321.00 to 322.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.000305 mmHg @ 25.00 °C. (est) |
| Flash Point | 237.00 °F. TCC ( 113.89 °C. ) |
| logP (o/w) | 4.846 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| 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 heptanoate usage levels up to | 8.0000 % in the fragrance concentrate. |
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Potential Uses
Natural Occurrence
Synonyms
heptanoic acid 2-phenethyl ester
heptanoic acid 2-phenyl ethyl ester
heptanoic acid, 2-phenylethyl ester
2-
phenethyl heptanoate
phenethyl heptylate
phenyl ethyl heptanoate
2-
phenyl ethyl heptanoate
phenyl ethyl heptylate
2-
phenylethyl heptanoate
phenylethyl-heptanoate
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