| Phytochemical Name : Ethyl isobutyrate |
| PCNDIDE0091 |
| Pubchem CID : 7342 |
| Molecular formula: C6H12O2 |
| Canonical SMILES : CCOC(=O)C(C)C |
Synonymes : ETHYL ISOBUTYRATE|97-62-1|Ethyl 2-methylpropanoate|Isobutyric acid ethyl ester|Ethylisobutyrate|Ethyl isobutanoate|Propanoic acid, 2-methyl-, ethyl ester|Ethyl 2,2-dimethylacetate|Isobutyric acid, ethyl ester|Ethyl 2-methylpropionate|FEMA No. 2428|Propionic acid, 2-methyl-, ethyl ester|Ethyl isobutyrate (natural)|Ethyl iso-butyrate|NSC 97194|Ethyl Isobutyrate-d6|ethyl 2-methyl-propionyl|EINECS 202-595-4|UN2385|BRN 0773846|UNII-9A9661LN4H|AI3-06121|CHEBI:87303|2-methylpropanoic acid ethyl ester|9A9661LN4H|2-methyl-propanoic acid ethyl ester|NSC-97194|Ethyl ester of 2-methyl-propanoic acid|WE(2:0/3:0(2Me))|ethylisobutyrat-|2-methyl-propionic acid ethyl ester|Ethylmethylpropanoate|ethyl methylpropanoate|Isobutyric acid ethyl|Nat.Ethyl Isobutyrate|Ethyl-2-methylproanoate|Ethyl isobutyrate, 99%|isobutanoic acid ethyl ester|SCHEMBL80284|ETHYL ISOBUTYRATE [MI]|CHEMBL295870|Ethyl 2-methylpropanoate, 9CI|WLN: 2OVY1&1|ETHYL ISOBUTYRATE [FCC]|NATURAL ETHYL ISOBUTYRATE|DTXSID7047728|ETHYL ISOBUTYRATE [FHFI]|FEMA 2428|2-methylpropanoic acid, ethyl ester|NSC97194|ISO BUTYRIC ACID ETHYL ESTER|LMFA07010503|MFCD00009165|NA2385|Ethyl isobutyrate, analytical standard|AKOS008948132|LS-2731|UN 2385|Ethyl isobutyrate, >=98%, FCC, FG|BS-24579|FT-0625782|I0105|EN300-45229|Ethyl isobutyrate, natural, >=98%, FCC, FG|Ethyl isobutyrate [UN2385] [Flammable liquid]|Ethyl isobutyrate [UN2385] [Flammable liquid]|Q-201085|Q27159510 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.160 |
| Log Po/w (XLOGP3) : 1.520 |
| Log Po/w (WLOGP) : 1.210 |
| Log Po/w (MLOGP) : 1.270 |
| Log Po/w (SILICOS-IT) : 0.910 |
| Consensus Log Po/w : 1.410 |