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CHEBI:87332 - 6-methyl-2-heptanyl acetate

ChEBI IDCHEBI:87332
ChEBI Name6-methyl-2-heptanyl acetate
Stars
DefinitionThe acetate ester of 6-methylheptan-2-ol.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCC(=O)OC(C)CCCC(C)C
InChIInChI=1S/C10H20O2/c1-8(2)6-5-7-9(3)12-10(4)11/h8-9H,5-7H2,1-4H3
InChIKeyJNRDWRMJYGDQQE-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
6-methyl-2-heptanyl acetate (CHEBI:87332) has role metabolite (CHEBI:25212)
6-methyl-2-heptanyl acetate (CHEBI:87332) is a acetate ester (CHEBI:47622)
IUPAC Name 
6-methylheptan-2-yl acetate
Synonym  Source
1,5-dimethylhexyl acetateChEBI
Registry NumbersSources
Reaxys:1758303Reaxys
CAS:67952-57-2ChemIDplus
CAS:67952-57-2NIST Chemistry WebBook