loading...| Preferred Name |
butyl acetate |
|
| Synonyms |
Butyl acetate butyl acetate acetic acid, butyl ester Butylazetat 1-butyl acetate butyl ethanoate CH3COO(CH2)3CH3 acetate de butyle butyl ester of acetic acid Butylacetat n-butyl ethanoate Essigsaeurebutylester Essigsaeure-n-butylester n-butyl acetate 1-acetoxybutane acetic acid n-butyl ester |
|
| Definitions |
The acetate ester of butanol. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31328 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:123-86-4 PDBeChem:8JZ Gmelin:240398 Beilstein:1741921 KEGG:C12304 |
|
| definition |
The acetate ester of butanol. |
|
| formula |
C6H12O2 |
|
| has_exact_synonym |
Butyl acetate butyl acetate |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
acetic acid, butyl ester Butylazetat 1-butyl acetate butyl ethanoate CH3COO(CH2)3CH3 acetate de butyle butyl ester of acetic acid Butylacetat n-butyl ethanoate Essigsaeurebutylester Essigsaeure-n-butylester n-butyl acetate 1-acetoxybutane acetic acid n-butyl ester |
|
| id |
CHEBI:31328 |
|
| in_subset | ||
| inchi |
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 |
|
| inchikey |
DKPFZGUDAPQIHT-UHFFFAOYSA-N |
|
| label |
butyl acetate |
|
| mass |
116.15828 |
|
| monoisotopicmass |
116.08373 |
|
| notation |
CHEBI:31328 |
|
| prefLabel |
butyl acetate |
|
| RO_0000087 | ||
| smiles |
CCCCOC(C)=O |
|
| subClassOf |