| Phytochemical Name : Methyl phenylacetate |
| PCNDIDM0112 |
| Pubchem CID : 7559 |
| Molecular formula: C9H10O2 |
| Canonical SMILES : COC(=O)CC1=CC=CC=C1 |
Synonymes : METHYL PHENYLACETATE|Methyl 2-phenylacetate|101-41-7|Benzeneacetic acid, methyl ester|Methyl benzeneacetate|Methyl alpha-toluate|Methyl phenylethanoate|Methyl benzeneethanoate|Phenylacetic Acid Methyl Ester|Phenylacetic acid, methyl ester|Acetic acid, phenyl-, methyl ester|FEMA No. 2733|EINECS 202-940-9|UNII-D4PDC41X96|NSC 401667|D4PDC41X96|DTXSID1044352|AI3-01971|METHYLPHENYLACETATE|NSC-9405|NSC-401667|Phenyl-acetic acid methyl ester|DTXCID9024352|HSDB 8384|EC 202-940-9|methyl phenyl acetate|Methyl .alpha.-toluate|WLN: 1OV1R|Methyl 2-phenyl acetate|Mephaneine|methyl a-toluate|methy phenylacetate|methylphenylacetat-|methyl benzylformate|Phnylactate de mthyle|Methyl-2-phenylacetate|Phenylacetic acid methyl|SCHEMBL4675|benzene acetic acid methyl ester|CHEMBL3189123|2-Phenylacetic acid methyl ester|FEMA 2733|Methyl ester of Phenylacetic acid|NSC9405|CHEBI:167404|METHYL PHENYLACETATE [FCC]|METHYL PHENYLACETATE [FHFI]|alpha-phenylacetic acid methyl ester|Tox21_300792|BBL010506|MFCD00008453|NSC401667|STL146152|AKOS000119976|CS-W018528|LS-2954|Methyl phenylacetate, analytical standard|NCGC00248170-01|NCGC00254696-01|CAS-101-41-7|HY-76063|Methyl phenylacetate, >=98%, FCC, FG|PHENYLACETIC ACID METHYL ESTER [MI]|FT-0653159|P0125|D77850|Methyl phenylacetate, ReagentPlus(R), >=99%|Q390681|Methyl phenylacetate, Vetec(TM) reagent grade, 98%|Flavor and Extract Manufacturers' Association No. 2733 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.020 |
| Log Po/w (XLOGP3) : 1.830 |
| Log Po/w (WLOGP) : 1.400 |
| Log Po/w (MLOGP) : 1.980 |
| Log Po/w (SILICOS-IT) : 2.030 |
| Consensus Log Po/w : 1.850 |

