CHEBI:149579 - 3-hydroxynonyl acetate

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ChEBI Name 3-hydroxynonyl acetate
ChEBI ID CHEBI:149579
Definition An acetate ester resulting from the formal condensation of the carboxy group of acetic acid with 1-hydroxy group of nonane-1,3-diol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
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Formula C11H22O3
Net Charge 0
Average Mass 202.294
Monoisotopic Mass 202.15689
InChI InChI=1S/C11H22O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h11,13H,3-9H2,1-2H3
InChIKey RTYFAKSWXDNPPU-UHFFFAOYSA-N
SMILES CC(OCCC(O)CCCCCC)=O
ChEBI Ontology
Outgoing 3-hydroxynonyl acetate (CHEBI:149579) is a acetate ester (CHEBI:47622)
3-hydroxynonyl acetate (CHEBI:149579) is a secondary alcohol (CHEBI:35681)
IUPAC Name
3-hydroxynonyl acetate
Synonyms Sources
1,3-nonanediol acetate ChemIDplus
1,3-nonanediol monoacetate ChemIDplus
Manual Xrefs Databases
FDB016746 FooDB
HMDB0032443 HMDB
LMFA07010753 LIPID MAPS
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Registry Number Type Source
1322-17-4 CAS Registry Number ChemIDplus
Last Modified
20 July 2020