| Phytochemical Name : Butyl isobutyl phthalate |
| PCNDIDB0153 |
| Pubchem CID : 28813 |
| Molecular formula: C16H22O4 |
| Canonical SMILES : CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
Synonymes : BUTYL ISOBUTYL PHTHALATE|17851-53-5|Phthalic acid, butyl isobutyl ester|1,2-Benzenedicarboxylic acid, butyl 2-methylpropyl ester|1-O-butyl 2-O-(2-methylpropyl) benzene-1,2-dicarboxylate|ButylIsobutylPhthalate|ZFJ3BJ8E4K|EINECS 241-802-2|MFCD11114531|Butyl isobutyl phthalate?|UNII-ZFJ3BJ8E4K|1-Butyl 2-isobutyl phthalate|2-Methylpropyl butyl phthalate|CHEMBL4071043|SCHEMBL11996440|DTXSID80170497|N-BUTYL ISOBUTYL PHTHALATE|ISO-BUTYL N-BUTYL PHTHALATE|HY-N7377|1-BUTYL-2-ISOBUTYL PHTHALATE|BUTYL 2-METHYLPROPYL PHTHALATE|AKOS024262452|Phthalic acid 1-butyl 2-isobutyl ester|s10584|BS-16122|SY032063|CS-0114070|FT-0743711|S0553|1,2-Benzenedicarboxylic acid, 1-butyl 2-(2-methylpropyl) ester |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.810 |
| Log Po/w (XLOGP3) : 4.580 |
| Log Po/w (WLOGP) : 3.460 |
| Log Po/w (MLOGP) : 3.430 |
| Log Po/w (SILICOS-IT) : 3.800 |
| Consensus Log Po/w : 3.620 |