CHEBI:34034 - tert-butyl benzoate

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ChEBI Name tert-butyl benzoate
ChEBI ID CHEBI:34034
ChEBI ASCII Name tert-butyl benzoate
Definition A benzoate ester obtained by the formal condensation of benzoic acid with tert-butanol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H14O2
Net Charge 0
Average Mass 178.228
Monoisotopic Mass 178.09938
InChI InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey LYDRKKWPKKEMNZ-UHFFFAOYSA-N
SMILES C(OC(C)(C)C)(C=1C=CC=CC1)=O
ChEBI Ontology
Outgoing tert-butyl benzoate (CHEBI:34034) has functional parent benzoic acid (CHEBI:30746)
tert-butyl benzoate (CHEBI:34034) is a tert-butyl ester (CHEBI:140402)
tert-butyl benzoate (CHEBI:34034) is a benzoate ester (CHEBI:36054)
IUPAC Name
tert-butyl benzoate
Synonyms Sources
1,1-Dimethylethyl benzoate KEGG COMPOUND
benzoic acid 1,1-dimethylethyl ester NIST Chemistry WebBook
benzoic acid tert-butyl ester NIST Chemistry WebBook
tert-Butyl benzoate KEGG COMPOUND
trimethylcarbinol benzoate NIST Chemistry WebBook
Manual Xrefs Databases
C14709 KEGG COMPOUND
FR2922449 Patent
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Registry Numbers Types Sources
2042392 Beilstein Registry Number Beilstein
2042392 Reaxys Registry Number Reaxys
774-65-2 CAS Registry Number ChemIDplus
774-65-2 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
18816103 PubMed citation Europe PMC
Last Modified
09 March 2018