| Phytochemical Name : Dibutyl terephthalate |
| PCNDIDD0103 |
| Pubchem CID : 16066 |
| Molecular formula: C16H22O4 |
| Canonical SMILES : CCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCC |
Synonymes : DIBUTYL TEREPHTHALATE|1962-75-0|1,4-dibutyl benzene-1,4-dicarboxylate|dibutyl benzene-1,4-dicarboxylate|1,4-Benzenedicarboxylic acid, dibutyl ester|dibutylterephthalate|Terephthalic acid, dibutyl ester|Di-n-butylterephthalate|NSC 6349|EINECS 217-803-9|1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester|BRN 2137106|UNII-7O6SH6VN97|AI3-11048|7O6SH6VN97|NSC-6349|EC 217-803-9|butyl terephthalate|di-n-butyl terephthalate|SCHEMBL37476|terephthalic acid dibutyl ester|DTXSID3022168|NSC6349|CHEBI:180625|BAA96275|MFCD00043939|AKOS026676550|AS-57460|LS-148736|D93388|EN300-1699829|Q27268641|F8880-2472 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.270 |
| Log Po/w (XLOGP3) : 4.020 |
| Log Po/w (WLOGP) : 3.160 |
| Log Po/w (MLOGP) : 2.890 |
| Log Po/w (SILICOS-IT) : 3.410 |
| Consensus Log Po/w : 3.350 |