| Phytochemical Name : Monobutyl phthalate |
| PCNDIDM0140 |
| Pubchem CID : 8575 |
| Molecular formula: C12H14O4 |
| Canonical SMILES : CCCCOC(=O)C1=CC=CC=C1C(=O)O |
Synonymes : MONOBUTYL PHTHALATE|131-70-4|Butyl hydrogen phthalate|2-(Butoxycarbonyl)benzoic acid|Mono-n-butyl phthalate|2-butoxycarbonylbenzoic acid|Phthalic acid, monobutyl ester|Monobutylphthalate|Phthalic acid mono-n-butyl ester|1,2-Benzenedicarboxylic acid, monobutyl ester|34-74-2|Phthalic Acid Monobutyl Ester|Mono-n-butyl-phthalate|NSC 8479|1,2-Benzenedicarboxylic acid, 1-butyl ester|EINECS 205-036-2|MBP|2-(Butoxycarbonyl)benzoate|UNII-ZI46LWZ45G|BRN 2051402|ZI46LWZ45G|AI3-01768|DTXSID4040002|CHEBI:88522|NSC-8479|MnBP|mono-Butyl phthalate|mono-n-butylphthalate|Phthalic acid butyl ester|1, monobutyl ester|Butylhydrogenphthalate|Phthalic acid 1-butyl|1,2-Benzenedicarboxylic Acid 1-Butyl Ester|BIDD:PXR0137|SCHEMBL151027|MnBP (Mono-n-butyl phthalate)|CHEMBL2447930|DTXCID2020002|NSC8479|2-(Butoxycarbonyl)benzoic acid #|PHTHALIC ACID, BUTYL ESTER|Phthalic acid, mono-n-butyl ester|HY-N7143|Tox21_300888|MFCD00043498|s5826|AKOS015888413|CS-W013116|mono-Butyl phthalate, analytical standard|NCGC00168325-01|NCGC00168325-02|NCGC00254792-01|AS-65709|CAS-131-70-4|1,2-Benzenedicarboxylicacid,1-butyl ester|LS-109357|FT-0623310|FT-0672456|P1132|mono-Butyl phthalate, 97.0-103.0% (T)|D70341|AG-205/06968036|J-006038|Q26841330|Phthalic acid, mono-n-butyl ester 100 microg/mL in Methyl-tert-butyl ether |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.690 |
| Log Po/w (XLOGP3) : 2.920 |
| Log Po/w (WLOGP) : 2.340 |
| Log Po/w (MLOGP) : 2.390 |
| Log Po/w (SILICOS-IT) : 2.220 |
| Consensus Log Po/w : 2.310 |