CHEBI:179545 - 3-Octyl 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 3-Octyl acetate
ChEBI ID CHEBI:179545
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/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3
InChIKey STZUZYMKSMSTOU-UHFFFAOYSA-N
SMILES O(C(CCCCC)CC)C(=O)C
ChEBI Ontology
Outgoing 3-Octyl acetate (CHEBI:179545) is a carboxylic ester (CHEBI:33308)
IUPAC Name
octan-3-yl acetate
Manual Xrefs Databases
454668 ChemSpider
HMDB0040167 HMDB
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Registry Number Type Source
4864-61-3 CAS Registry Number ChemIDplus