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CHEBI:87596 - 2-(1-phenylethyl)-1,3-dioxolane

ChEBI IDCHEBI:87596
ChEBI Name2-(1-phenylethyl)-1,3-dioxolane
Stars
DefinitionA dioxolane that is 1,3-dioxolane substituted by a 1-phenylethyl group at position 2.
Last Modified20 August 2015
Submitternamrata
DownloadsMolfile
FormulaC11H14O2
Net Charge0
Average Mass178.231
Monoisotopic Mass178.09938
SMILESCC(c1ccccc1)C1OCCO1
InChIInChI=1S/C11H14O2/c1-9(11-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeySATZAQAJSHXNSJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-(1-phenylethyl)-1,3-dioxolane (CHEBI:87596) has parent hydride 1,3-dioxolane (CHEBI:87597)
2-(1-phenylethyl)-1,3-dioxolane (CHEBI:87596) has role metabolite (CHEBI:25212)
2-(1-phenylethyl)-1,3-dioxolane (CHEBI:87596) is a benzenes (CHEBI:22712)
2-(1-phenylethyl)-1,3-dioxolane (CHEBI:87596) is a cyclic acetal (CHEBI:59770)
2-(1-phenylethyl)-1,3-dioxolane (CHEBI:87596) is a dioxolane (CHEBI:39430)
IUPAC Name 
2-(1-phenylethyl)-1,3-dioxolane
Synonym  Source
2-phenylpropanal ethylene acetalChEBI
Registry NumbersSources
Reaxys:124019Reaxys
CAS:4362-22-5ChemIDplus