loading...| Preferred Name |
isobutyl acetate |
|
| Synonyms |
isobutyl acetate 2-methylpropyl acetate Isobutylacetat acetic acid, 2-methylpropyl ester 2-methyl-1-propyl acetate Isobutylazetat acetic acid, isobutyl ester 2-methylpropyl ethanoate Essigsaeureisobutylester acetate d'isobutyle beta-methylpropyl ethanoate i-butyl acetate isobutyl ethanoate |
|
| Definitions |
The acetate ester of isobutanol. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50569 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:110-19-0 Reaxys:1741909 Beilstein:1741909 Wikipedia:Isobutyl_acetate Gmelin:101394 |
|
| definition |
The acetate ester of isobutanol. |
|
| formula |
C6H12O2 |
|
| has_exact_synonym |
isobutyl acetate 2-methylpropyl acetate |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Isobutylacetat acetic acid, 2-methylpropyl ester 2-methyl-1-propyl acetate Isobutylazetat acetic acid, isobutyl ester 2-methylpropyl ethanoate Essigsaeureisobutylester acetate d'isobutyle beta-methylpropyl ethanoate i-butyl acetate isobutyl ethanoate |
|
| id |
CHEBI:50569 |
|
| in_subset | ||
| inchi |
InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 |
|
| inchikey |
GJRQTCIYDGXPES-UHFFFAOYSA-N |
|
| label |
isobutyl acetate |
|
| mass |
116.15828 |
|
| monoisotopicmass |
116.08373 |
|
| notation |
CHEBI:50569 |
|
| prefLabel |
isobutyl acetate |
|
| RO_0000087 | ||
| smiles |
CC(C)COC(C)=O |
|
| subClassOf |