| Phytochemical Name : Dihexyl phthalate |
| PCNDIDD0121 |
| Pubchem CID : 6786 |
| Molecular formula: C20H30O4 |
| Canonical SMILES : CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC |
Synonymes : DIHEXYL PHTHALATE|84-75-3|Di-n-hexyl phthalate|dihexyl benzene-1,2-dicarboxylate|Di-n-hexylphthalate|68515-50-4|1,2-Benzenedicarboxylic acid, dihexyl ester|phthalic acid dihexyl ester|Phthalic acid, dihexyl ester|N-Dihexyl phthalate|Bis(n-hexyl) phthalate|Phthalic Acid Di-n-hexyl Ester|Dihexyl 1,2-benzenedicarboxylate|Hexyl phthalate, 1,2-|Dihexylester kyseliny ftalove|CCRIS 6192|Di(n-hexyl)phthalate|HSDB 4490|NSC 4817|1,2-Benzenedioic acid dihexyl ester|AI3-04274 (USDA)|EINECS 201-559-5|Dihexylester kyseliny ftalove [Czech]|UNII-42MAH1QFG5|BRN 1886839|42MAH1QFG5|AI3-04274|Phthalic acid, bis-hexyl ester|DTXSID6025068|CHEBI:34678|NSC-4817|MFCD00043720|1,2-dihexyl benzene-1,2-dicarboxylate|DTXCID505068|Phthalic acid, bis-hexyl ester 10 microg/mL in Cyclohexane|dihexylphthalate|CAS-84-75-3|68610-82-2|dihexylphthalat-|1, dihexyl ester|Phthalic acid dihexyl|Dihexylphthalate (DHP)|WLN: 6OVR BVO6|SCHEMBL50751|BIDD:ER0642|Di-n-hexyl phthalate (DnHP)|CHEMBL3181956|DIHEXYL PHTHALATE [HSDB]|NSC4817|EINECS 271-093-5|Tox21_202420|Tox21_300165|Dihexyl phthalate, analytical standard|AKOS015839890|CS-W011931|LS-1841|NCGC00247915-01|NCGC00247915-02|NCGC00254224-01|NCGC00259969-01|AS-56842|SY032083|FT-0624940|FT-0697120|P1344|S10762|EN300-1073399|1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester|Q26841288|F0001-2135 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.440 |
| Log Po/w (XLOGP3) : 3.180 |
| Log Po/w (WLOGP) : 2.890 |
| Log Po/w (MLOGP) : 2.270 |
| Log Po/w (SILICOS-IT) : 3.630 |
| Consensus Log Po/w : 3.080 |