| Phytochemical Name : Butyl benzoate |
| PCNDIDB0150 |
| Pubchem CID : 8698 |
| Molecular formula: C11H14O2 |
| Canonical SMILES : CCCCOC(=O)C1=CC=CC=C1 |
Synonymes : BUTYL BENZOATE|136-60-7|n-Butyl benzoate|Benzoic acid, butyl ester|Anthrapole AZ|Benzoic Acid Butyl Ester|Dai Cari XBN|Benzoic acid n-butyl ester|Butylester kyseliny benzoove|NSC 8474|HSDB 2089|Butylester kyseliny benzoove [Czech]|EINECS 205-252-7|UNII-1TGZ0D0O8I|BRN 1867073|1TGZ0D0O8I|AI3-00521|DTXSID8040694|NSC-8474|4-09-00-00290 (Beilstein Handbook Reference)|Butylbenzoate|Butyl ester of benzoic acid|n_butyl benzoate|4-butyl benzoate|benzoic acid butyl|Hipochem B-3-M|Marvanol Carrier BB|MFCD00009439|Butyl benzoate, 99%|benzoic acid-butyl ester|benzoic acid n_butyl ester|Butyl benzoate, >=98%|WLN: 4OVR|SCHEMBL97514|BUTYL BENZOATE [HSDB]|BUTYL BENZOATE [INCI]|N-BUTYL BENZOATE [MI]|CHEMBL1868953|DTXCID6020694|NSC8474|CHEBI:156070|Butyl benzoate, analytical standard|Tox21_300510|STL453779|AKOS009028883|NCGC00163973-01|NCGC00163973-02|NCGC00254500-01|CAS-136-60-7|LS-36348|B0066|FT-0623301|EN300-19222|F71163|A807102|Q818506|J-006874|F8880-4634|Z104473208 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.720 |
| Log Po/w (XLOGP3) : 3.840 |
| Log Po/w (WLOGP) : 2.640 |
| Log Po/w (MLOGP) : 2.840 |
| Log Po/w (SILICOS-IT) : 2.750 |
| Consensus Log Po/w : 2.960 |