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CHEBI:87336 - 2-phenylethyl pivalate

ChEBI IDCHEBI:87336
ChEBI Name2-phenylethyl pivalate
Stars
DefinitionA pivalate ester of 2-phenylethanol.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC13H18O2
Net Charge0
Average Mass206.285
Monoisotopic Mass206.13068
SMILESCC(C)(C)C(=O)OCCc1ccccc1
InChIInChI=1S/C13H18O2/c1-13(2,3)12(14)15-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyDPVYDTACPLLHCF-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-phenylethyl pivalate (CHEBI:87336) has functional parent 2-phenylethanol (CHEBI:49000)
2-phenylethyl pivalate (CHEBI:87336) has role metabolite (CHEBI:25212)
2-phenylethyl pivalate (CHEBI:87336) is a pivalate ester (CHEBI:50784)
IUPAC Name 
2-phenylethyl 2,2-dimethylpropanoate
Synonym  Source
Phenylethyl trimethylacetateChemIDplus
Registry NumbersSources
Reaxys:1870457Reaxys
CAS:67662-96-8ChemIDplus