| Phytochemical Name : Ethyl benzoate |
| PCNDIDE0084 |
| Pubchem CID : 7165 |
| Molecular formula: C9H10O2 |
| Canonical SMILES : CCOC(=O)C1=CC=CC=C1 |
Synonymes : ETHYL BENZOATE|93-89-0|Benzoic acid, ethyl ester|Benzoic ether|Ethyl benzenecarboxylate|Benzoic Acid Ethyl Ester|Benzoyl ethyl ether|Ethylester kyseliny benzoove|FEMA No. 2422|Ethyl benzoate (natural)|NSC 8884|EINECS 202-284-3|UNII-J115BRJ15H|J115BRJ15H|DTXSID3038696|AI3-01352|Benzoic acid-ethyl ester|NSC-8884|Ethylester kyseliny benzoove [Czech]|CHEMBL510714|BENZOIC ACID,ETHYL ESTER|DTXCID1018696|CHEBI:156074|NSC 8884-d5|EC 202-284-3|70750-02-6|70750-03-7|HYDROUS BENZOYL PEROXIDE IMPURITY C (EP IMPURITY)|HYDROUS BENZOYL PEROXIDE IMPURITY C [EP IMPURITY]|benzoic acid ethyl|MFCD00009109|Ethyl Benzoate Natural|Ethyl benzoate, >=99%|WLN: 2OVR|ETHYL BENZOATE [MI]|SCHEMBL55674|ETHYL BENZOATE [FCC]|ETHYL BENZOATE [FHFI]|ETHYL BENZOATE [INCI]|Ethyl benzoate, puriss., 98%|FEMA 2422|NSC8884|Ethyl benzoate, analytical standard|Tox21_302021|BBL010500|BDBM50304448|STK025151|Ethyl benzoate, >=99%, FCC, FG|AKOS003596787|LS-2713|CAS-93-89-0|NCGC00255586-01|VS-02532|B0069|Ethyl benzoate, natural, >=99%, FCC, FG|FT-0622709|EN300-16131|Ethyl benzoate, Vetec(TM) reagent grade, 98%|A844728|Q421100|J-502070|Z53835169|F8880-7461|70750-04-8 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.250 |
| Log Po/w (XLOGP3) : 2.640 |
| Log Po/w (WLOGP) : 1.860 |
| Log Po/w (MLOGP) : 2.250 |
| Log Po/w (SILICOS-IT) : 2.030 |
| Consensus Log Po/w : 2.210 |

