| Phytochemical Name : Phenethyl octanoate |
| PCNDIDP0077 |
| Pubchem CID : 229888 |
| Molecular formula: C16H24O2 |
| Canonical SMILES : CCCCCCCC(=O)OCCC1=CC=CC=C1 |
Synonymes : Phenethyl octanoate|2-Phenylethyl octanoate|5457-70-5|2-Phenethyl octanoate|Octanoic acid, phenethyl ester|Phenylethyl octanoate|Octanoic acid, 2-phenylethyl ester|Phenethyl caprylate|Phenylethyl caprylate|2-Phenylethyl caprylate|Octanoic acid,2-phenylethyl ester|FEMA No. 3222|Phenylethyl n-octanoate|Benzylcarbinyl octanoate|Fema3222|2-Phenylethyl n-Octanoate|UNII-89J4RI53EZ|89J4RI53EZ|EINECS 226-718-6|NSC 23950|NSC-23950|AI3-31010|starbld0009585|benzyl carbinyl octanoate|2-Phenylethyl-n-octanoate|2-Phenyl ethyl-N-octanoate|Phenethyl octanoate, >=99%|SCHEMBL873938|Octanoic acid phenylethyl ester|DTXSID4063909|Octanoic acid phenyl ethyl ester|FEMA 3222|CHEBI:171699|Octanoic acid 2-phenylethyl ester|PHENETHYL OCTANOATE [FHFI]|NSC23950|.BETA.-PHENYLETHYL OCTANOATE|MFCD00209536|3-Bromo-5-chloropyridine-2-carboxylicacid|P2741|F87484|Q27270047 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.370 |
| Log Po/w (XLOGP3) : 5.130 |
| Log Po/w (WLOGP) : 4.130 |
| Log Po/w (MLOGP) : 3.900 |
| Log Po/w (SILICOS-IT) : 4.710 |
| Consensus Log Po/w : 4.250 |