Phenethyl octanoate
2-phenylethyl octanoate
Also Known As: Phenethyl octanoate|2-Phenylethyl octanoate|Phenylethyl octanoate|2-Phenethyl octanoate|Phenethyl caprylate|Phenylethyl caprylate|Octanoic acid, phenethyl ester|2-Phenylethyl n-Octanoate|Octanoic acid, 2-phenylethyl ester|Phenylethyl n-octanoate|2-Phenylethyl caprylate|Benzylcarbinyl octanoate|ACMC-20ajxe|Fema3222|FEMA No. 3222|2-Phenylethyl-n-octanoate|starbld0009585|benzyl carbinyl octanoate|2-Phenyl ethyl-N-octanoate|Octanoic acid,2-phenylethyl ester|2-Phenylethyl octanoic acid|Octanoic acid phenylethyl ester|Octanoic acid phenyl ethyl ester|FEMA 3222|Phenethyl octanoate, >=99%|EINECS 226-718-6|PHENETHYL OCTANOATE [FHFI]|.BETA.-PHENYLETHYL OCTANOATE|BETA-PHENYLETHYL OCTANOATE|Octanoic acid 2-phenylethyl ester|AI3-31010
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.17763 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 248.17763 |
| Monoisotopic Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 207.0 |
| Boiling Point | 295.00 to 296.00 °C. @ 760.00 mm Hg |
| Density | 0.973-0.977 (20°) |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.479-1.486 |
Chemical Identifiers
| CAS Number | 6316-93-4 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCC1=CC=CC=C1 |
| InChIKey | ASETYIALRXDVDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl octanoate (CAS 6316-93-4), with molecular formula C16H24O2 and molecular weight 248.17763 g/mol. IUPAC: 2-phenylethyl octanoate.
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