| Phytochemical Name : Butyl butyrate |
| PCNDIDB0151 |
| Pubchem CID : 7983 |
| Molecular formula: C8H16O2 |
| Canonical SMILES : CCCCOC(=O)CCC |
Synonymes : Butyl butyrate|109-21-7|Butyl butanoate|n-Butyl butyrate|Butanoic acid, butyl ester|n-Butyl butanoate|Butyric Acid Butyl Ester|1-Butyl butyrate|Butyl butylate|N-BUTYL N-BUTYRATE|Butyric acid, butyl ester|Butyl n-butyrate|n-Butyl n-butanoate|FEMA No. 2186|butryl butyrate|Butyl butyrate (natural)|NSC 8458|CCRIS 6551|butanoic acid butyl ester|EINECS 203-656-8|Butyric acid n-butyl ester|BRN 1747101|Butyl ester of butanoic acid|UNII-1BHV00T1M4|n-Butyric acid n-butyl ester|AI3-06125|1BHV00T1M4|NSC-8458|Butylbutyrate|WE(4:0/4:0)|4-02-00-00789 (Beilstein Handbook Reference)|n-BUTYL-n-BUTYRATE|Butyric acid butyl|Butyl Butyrate Natural|Butyl butyrate, 98%|BUB (CHRIS Code)|BUTANOATE, BUTYL|N-BUTYL-BUTYRATE|n-butyric n-butyl ester|Butyric acid-butyl ester|BUTYL BUTYRATE [FCC]|WLN: 4OV3|BUTYL BUTYRATE [FHFI]|SCHEMBL113994|DTXSID7041702|CHEBI:87429|FEMA 2186|N-BUTYL N-BUTYRATE [MI]|NSC8458|Butyl butyrate, analytical standard|LMFA07010418|MFCD00009450|Butyl butyrate, >=98%, FCC, FG|AKOS009165857|LS-2593|B0757|Butyl butyrate, natural, >=98%, FCC, FG|FT-0654703|EN300-52980|A801979|Butanoic acid, butyl ester; (n-Butyl n-butanoate)|J-002246|J-519960|Q2212471 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.680 |
| Log Po/w (XLOGP3) : 2.180 |
| Log Po/w (WLOGP) : 2.130 |
| Log Po/w (MLOGP) : 1.960 |
| Log Po/w (SILICOS-IT) : 1.920 |
| Consensus Log Po/w : 2.170 |