loading...| Preferred Name |
isoamyl acetate |
|
| Synonyms |
3-methylbutyl acetate Isoamyl acetate isopentyl acetate acetic acid, isopentyl ester isopentyl ethanoate Isoamylazetat i-amyl acetate isoamyl ethanoate acetate d'isoamyle acetate d'isopentyle amylacetic ester acetate de 3-methylbutyle beta-methyl butyl acetate CH3C(O)O(CH2)2CH(CH3)2 3-methylbutyl ethanoate 3-methyl-but-1-yl acetate Isoamylacetat acetic acid, 3-methylbutyl ester 3-methyl-1-butyl acetate 3-methyl-1-butanol acetate |
|
| Definitions |
The acetate ester of isoamylol. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31725 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:C12296 Gmelin:101452 PMID:15491859 Reaxys:1744750 Beilstein:1744750 PMID:25626919 CAS:123-92-2 |
|
| definition |
The acetate ester of isoamylol. |
|
| formula |
C7H14O2 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
3-methylbutyl acetate Isoamyl acetate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
isopentyl acetate acetic acid, isopentyl ester isopentyl ethanoate Isoamylazetat i-amyl acetate isoamyl ethanoate acetate d'isoamyle acetate d'isopentyle 3-methylbutyl acetate amylacetic ester acetate de 3-methylbutyle beta-methyl butyl acetate CH3C(O)O(CH2)2CH(CH3)2 3-methylbutyl ethanoate 3-methyl-but-1-yl acetate Isoamylacetat acetic acid, 3-methylbutyl ester 3-methyl-1-butyl acetate 3-methyl-1-butanol acetate |
|
| id |
CHEBI:31725 |
|
| in_subset | ||
| inchi |
InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3 |
|
| inchikey |
MLFHJEHSLIIPHL-UHFFFAOYSA-N |
|
| label |
isoamyl acetate |
|
| mass |
130.18486 |
|
| monoisotopicmass |
130.09938 |
|
| notation |
CHEBI:31725 |
|
| prefLabel |
isoamyl acetate |
|
| smiles |
CC(C)CCOC(C)=O |
|
| treeView | ||
| subClassOf |