CHEBI:179546 - Isooctyl 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 Isooctyl acetate
ChEBI ID CHEBI:179546
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H20O2
Net Charge 0
Average Mass 172.268
Monoisotopic Mass 172.14633
InChI InChI=1S/C10H20O2/c1-9(2)7-5-4-6-8-12-10(3)11/h9H,4-8H2,1-3H3
InChIKey DICUPLXUNISGAQ-UHFFFAOYSA-N
SMILES O(CCCCCC(C)C)C(=O)C
ChEBI Ontology
Outgoing Isooctyl acetate (CHEBI:179546) is a carboxylic ester (CHEBI:33308)
IUPAC Name
6-methylheptyl acetate
Manual Xref Database
148086 ChemSpider
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Registry Number Type Source
31565-19-2 CAS Registry Number ChemIDplus