| Phytochemical Name : Isopropyl formate |
| PCNDIDI0108 |
| Pubchem CID : 12257 |
| Molecular formula: C4H8O2 |
| Canonical SMILES : CC(C)OC=O |
Synonymes : ISOPROPYL FORMATE|625-55-8|propan-2-yl formate|Formic Acid Isopropyl Ester|Formic acid, 1-methylethyl ester|Formic acid, isopropyl ester|Isopropyl methanoate|1-Methylethyl formate|FEMA No. 2944|Methylethyl formate|HSDB 6401|EINECS 210-901-2|HCOOCH(CH3)2|BRN 1735844|Formic acid, 2-propyl ester|UNII-H1L164W42G|AI3-15407|Formic acid 1-methylethyl ester|DTXSID2027258|H1L164W42G|MFCD00014127|Isopropyl formate, 98%|4-02-00-00027 (Beilstein Handbook Reference)|DTXCID807258|CAS-625-55-8|propan-2-yl ormate|Formic acid isopropyl|propan-2-yl methanoate|ISO-PROPYL FORMATE|ISO-PROPYL METHANOATE|formic acid propan-2-yl ester|CHEMBL3184082|ISOPROPYL FORMATE [FHFI]|ISOPROPYL FORMATE [HSDB]|FEMA 2944|CHEBI:173325|Tox21_201844|Tox21_303282|AKOS015915401|LS-2867|NCGC00249126-01|NCGC00256945-01|NCGC00259393-01|F0056|FT-0627464|A833845|Q461068 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.550 |
| Log Po/w (XLOGP3) : 0.930 |
| Log Po/w (WLOGP) : 0.570 |
| Log Po/w (MLOGP) : 0.490 |
| Log Po/w (SILICOS-IT) : 0.270 |
| Consensus Log Po/w : 0.760 |