CHEBI:50585 - 2-methylbutyl acetate

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ChEBI Name 2-methylbutyl acetate
ChEBI ID CHEBI:50585
Definition The acetate ester of 2-methylbutan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H14O2
Net Charge 0
Average Mass 130.18486
Monoisotopic Mass 130.09938
InChI InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
InChIKey XHIUFYZDQBSEMF-UHFFFAOYSA-N
SMILES CCC(C)COC(C)=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-methylbutyl acetate (CHEBI:50585) has functional parent 2-methylbutan-1-ol (CHEBI:48945)
2-methylbutyl acetate (CHEBI:50585) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
2-methylbutyl acetate (CHEBI:50585) has role metabolite (CHEBI:25212)
2-methylbutyl acetate (CHEBI:50585) is a acetate ester (CHEBI:47622)
IUPAC Name
2-methylbutyl acetate
Synonyms Sources
2-methyl-1-butanol acetate NIST Chemistry WebBook
2-methyl-1-butyl acetate ChemIDplus
2-methylbutanol acetate NIST Chemistry WebBook
acetic acid 2-methylbutyl ester NIST Chemistry WebBook
Registry Numbers Types Sources
1720551 Beilstein Registry Number Beilstein
624-41-9 CAS Registry Number ChemIDplus
624-41-9 CAS Registry Number NIST Chemistry WebBook
Last Modified
21 January 2016