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CHEBI:38647 - 3,3-dimethylbutyric acid

ChEBI IDCHEBI:38647
ChEBI Name3,3-dimethylbutyric acid
Stars
DefinitionA dimethylbutyric acid in which both methyl substituents are at C3; used as an intermediate in the synthesis of medicines and agricultural chemicals.
Last Modified11 October 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCC(C)(C)CC(=O)O
InChIInChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
InChIKeyMLMQPDHYNJCQAO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,3-dimethylbutyric acid (CHEBI:38647) is a dimethylbutyric acid (CHEBI:38648)
Incoming Relation(s)
3,3-dimethyl-2-oxobutanoic acid (CHEBI:180663) has functional parent 3,3-dimethylbutyric acid (CHEBI:38647)
spiromesifen (CHEBI:38640) has functional parent 3,3-dimethylbutyric acid (CHEBI:38647)
IUPAC Name 
3,3-dimethylbutanoic acid
Synonyms  Source
3,3-dimethylbutyric acidNIST Chemistry WebBook
tert-butylacetic acidChemIDplus
t-butylacetic acidNIST Chemistry WebBook
3,3-dimethyl-n-butyric acidNIST Chemistry WebBook
DES-AMINO T-BUTYL GLYCINEPDBeChem
Manual XrefsDatabases
DTGPDBeChem
LMFA01020079LIPID MAPS
Registry NumbersSources
Beilstein:1740427Beilstein
Gmelin:662934Gmelin
CAS:1070-83-3NIST Chemistry WebBook
CAS:1070-83-3ChemIDplus
Citations