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CHEBI:86583 - isoeugenol acetate

ChEBI IDCHEBI:86583
ChEBI Nameisoeugenol acetate
Stars
DefinitionA phenylpropanoid that is the acetate ester of trans-isoeugenol.
Last Modified3 April 2018
DownloadsMolfile
FormulaC12H14O3
Net Charge0
Average Mass206.241
Monoisotopic Mass206.09429
SMILESC/C=C/c1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+
InChIKeyIUSBVFZKQJGVEP-SNAWJCMRSA-N
ChEBI Ontology
Outgoing Relation(s)
isoeugenol acetate (CHEBI:86583) has functional parent trans-isoeugenol (CHEBI:50545)
isoeugenol acetate (CHEBI:86583) is a monomethoxybenzene (CHEBI:25235)
isoeugenol acetate (CHEBI:86583) is a phenyl acetates (CHEBI:140310)
isoeugenol acetate (CHEBI:86583) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
2-methoxy-4-[(1E)-prop-1-en-1-yl]phenyl acetate
Synonyms  Source
acetylated isoeugenolChEBI
(E)-isoeugenyl acetateChemIDplus
trans-Isoeugenol acetateChemIDplus
Registry NumbersSources
Reaxys:2052335Reaxys
CAS:5912-87-8ChemIDplus
CAS:5912-87-8NIST Chemistry WebBook