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CHEBI:34034 - tert-butyl benzoate

ChEBI IDCHEBI:34034
ChEBI Nametert-butyl benzoate
Stars
ASCII Nametert-butyl benzoate
DefinitionA benzoate ester obtained by the formal condensation of benzoic acid with tert-butanol.
Last Modified9 March 2018
DownloadsMolfile
FormulaC11H14O2
Net Charge0
Average Mass178.231
Monoisotopic Mass178.09938
SMILESCC(C)(C)OC(=O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyLYDRKKWPKKEMNZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
1,1-Dimethylethyl benzoateKEGG COMPOUND
tert-Butyl benzoateKEGG COMPOUND
benzoic acid tert-butyl esterNIST Chemistry WebBook
trimethylcarbinol benzoateNIST Chemistry WebBook
benzoic acid 1,1-dimethylethyl esterNIST Chemistry WebBook
Manual XrefsDatabases
C14709KEGG COMPOUND
FR2922449Patent
Registry NumbersSources
Reaxys:2042392Reaxys
CAS:774-65-2KEGG COMPOUND
CAS:774-65-2ChemIDplus
CAS:774-65-2NIST Chemistry WebBook
Citations