| Phytochemical Name : Benzyl isovalerate |
| PCNDIDB0041 |
| Pubchem CID : 7651 |
| Molecular formula: C12H16O2 |
| Canonical SMILES : CC(C)CC(=O)OCC1=CC=CC=C1 |
Synonymes : Benzyl isovalerate|Benzyl 3-methylbutanoate|103-38-8|Butanoic acid, 3-methyl-, phenylmethyl ester|Benzyl isopentanoate|Benzyl 3-methylbutyrate|ISOVALERIC ACID, BENZYL ESTER|Benzyl 3-methyl butyrate|Benzyl isovalerianate|Phenylmethyl 3-methylbutanoate|Isopropyl acetic acid, benzyl ester|Isopentanoic acid, phenylmethyl ester|FEMA No. 2152|benzylisovalerate|Butanoic acid, 3-methyl-, phenylethyl ester|Benzyl isovalerate (natural)|NSC 46124|Phenylmethyl isovalerate|EINECS 203-106-7|UNII-87UKH01DMA|BRN 2503435|87UKH01DMA|AI3-02953|DTXSID1047603|NSC-46124|Isovaleric acid-benzyl ester|SCHEMBL111390|WLN: 1Y1&1VO1R|BENZYL ISOVALERATE [FCC]|Butanoic acid, phenylethyl ester|CHEMBL3184059|DTXCID9027603|FEMA 2152|Phenyl methyl 3-methyl butanoate|3-methylbutyric acid benzyl ester|BENZYL ISOVALERATE [FHFI]|Phenylmethyl (benzyl) isovalerate|CHEBI:179904|NCI-C-54717|NSC46124|Tox21_302504|MFCD00048348|AKOS024437454|LS-2579|3-methylbutanoic acid phenylmethyl ester|Benzyl isovalerate, >=98%, FCC, FG|NCGC00256892-01|AS-58238|CAS-103-38-8|B6099|CS-0273910|FT-0622772|D95343|Q27269851|Z18259706 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.840 |
| Log Po/w (XLOGP3) : 3.260 |
| Log Po/w (WLOGP) : 2.620 |
| Log Po/w (MLOGP) : 2.860 |
| Log Po/w (SILICOS-IT) : 2.950 |
| Consensus Log Po/w : 2.910 |