loading...| Preferred Name |
ethyl butyrate |
|
| Synonyms |
ethyl butanoate Ethyl ester of butanoic acid Ethyl n-butanoate Butyric acid ethyl ester n-Butyric acid ethyl ester Butanoic acid ethyl ester Ethyl 1-butyrate Ethyl n-butyrate |
|
| Definitions |
A butyrate ester resulting from the formal condensation of the hydroxy group of ethanol with the carboxy group of butyric acid. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_88764 |
|
| charge |
0 |
|
| database_cross_reference |
AGR:IND601124441 PMID:28992408 PMID:27167034 AGR:IND21978680 PMID:28317768 PMID:28868973 PMID:27989125 PMID:15432357 CAS:105-54-4 PMID:27440155 Wikipedia:Ethyl_butyrate PMID:28928527 Patent:US6153246 PMID:16506838 PMID:24679778 PMID:28476120 Reaxys:506331 PMID:26471403 PMID:23305408 PMID:727513 PMID:27862955 PMID:28784506 AGR:IND500604094 AGR:IND20363758 PMID:28763947 PMID:28036078 HMDB:HMDB0033889 PMID:29019010 PMID:24844439 PMID:16131132 KNApSAcK:C00050446 PMID:28363857 PMID:19167006 PMID:27999263 PMID:26715051 PMID:28192158 AGR:IND44476186 PMID:28285516 PMID:28740317 |
|
| definition |
A butyrate ester resulting from the formal condensation of the hydroxy group of ethanol with the carboxy group of butyric acid. |
|
| formula |
C6H12O2 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
ethyl butanoate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Ethyl ester of butanoic acid Ethyl n-butanoate Butyric acid ethyl ester n-Butyric acid ethyl ester ethyl butanoate Butanoic acid ethyl ester Ethyl 1-butyrate Ethyl n-butyrate |
|
| id |
CHEBI:88764 |
|
| in_subset | ||
| inchi |
InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3 |
|
| inchikey |
OBNCKNCVKJNDBV-UHFFFAOYSA-N |
|
| label |
ethyl butyrate |
|
| mass |
116.159 |
|
| monoisotopicmass |
116.08373 |
|
| notation |
CHEBI:88764 |
|
| prefLabel |
ethyl butyrate |
|
| smiles |
CCCC(=O)OCC |
|
| treeView | ||
| subClassOf |