CHEBI:179885 - 5-Methylhexyl acetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5-Methylhexyl acetate
ChEBI ID CHEBI:179885
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H18O2
Net Charge 0
Average Mass 158.241
Monoisotopic Mass 158.13068
InChI InChI=1S/C9H18O2/c1-8(2)6-4-5-7-11-9(3)10/h8H,4-7H2,1-3H3
InChIKey OOYBITFWBADNKC-UHFFFAOYSA-N
SMILES O(CCCCC(C)C)C(=O)C
ChEBI Ontology
Outgoing 5-Methylhexyl acetate (CHEBI:179885) is a carboxylic ester (CHEBI:33308)
IUPAC Name
5-methylhexyl acetate
Manual Xrefs Databases
11220157 ChemSpider
HMDB0032406 HMDB
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Registry Number Type Source
72246-17-4 CAS Registry Number ChemIDplus