| Phytochemical Name : Butyl 2-ethylhexyl phthalate |
| PCNDIDB0149 |
| Pubchem CID : 6818 |
| Molecular formula: C20H30O4 |
| Canonical SMILES : CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCCCC |
Synonymes : Butyl 2-ethylhexyl phthalate|85-69-8|1,2-Benzenedicarboxylic acid, butyl 2-ethylhexyl ester|1-O-butyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate|Phthalic acid, butyl 2-ethylhexyl ester|2-ETHYLHEXYL BUTYL PHTHALATE|UNII-40AV6S4MYV|40AV6S4MYV|DTXSID8026519|HSDB 5251|EINECS 201-623-2|Butyl 2-ethylhexyl phthalate(Technical)|1,2-Benzenedicarboxylicacid, 1-butyl 2-(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 1-butyl 2-(2-ethylhexyl) ester|butyl-2-ethylhexylphthalat|SCHEMBL231235|DTXCID506519|CHEMBL3188746|CHEBI:191077|Tox21_200061|CAS-85-69-8|1-Butyl 2-(2-ethylhexyl) phthalate #|NCGC00248509-01|NCGC00257615-01|Phthalic acid, butyl(2-ethylhexyl) ester|2-ETHYLHEXYL BUTYL PHTHALATE [HSDB]|Phthalic acid 1-butyl 2-(2-ethylhexyl) ester|Q27258316 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.320 |
| Log Po/w (XLOGP3) : 5.570 |
| Log Po/w (WLOGP) : 5.020 |
| Log Po/w (MLOGP) : 4.370 |
| Log Po/w (SILICOS-IT) : 5.460 |
| Consensus Log Po/w : 4.950 |