CHEBI:87336 - 2-phenylethyl pivalate

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ChEBI Name 2-phenylethyl pivalate
ChEBI ID CHEBI:87336
Definition A pivalate ester of 2-phenylethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H18O2
Net Charge 0
Average Mass 206.28080
Monoisotopic Mass 206.13068
InChI InChI=1S/C13H18O2/c1-13(2,3)12(14)15-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey DPVYDTACPLLHCF-UHFFFAOYSA-N
SMILES CC(C)(C)C(=O)OCCc1ccccc1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 trimethylacetate ChemIDplus
Registry Numbers Types Sources
1870457 Reaxys Registry Number Reaxys
67662-96-8 CAS Registry Number ChemIDplus
Last Modified
02 September 2015