CHEBI:38647 - 3,3-dimethylbutyric acid

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ChEBI Name 3,3-dimethylbutyric acid
ChEBI ID CHEBI:38647
Definition A dimethylbutyric acid in which both methyl substituents are at C3; used as an intermediate in the synthesis of medicines and agricultural chemicals.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H12O2
Net Charge 0
Average Mass 116.15828
Monoisotopic Mass 116.08373
InChI InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
InChIKey MLMQPDHYNJCQAO-UHFFFAOYSA-N
SMILES CC(C)(C)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3,3-dimethylbutyric acid (CHEBI:38647) is a dimethylbutyric acid (CHEBI:38648)
Incoming 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 Sources
3,3-dimethyl-n-butyric acid NIST Chemistry WebBook
3,3-dimethylbutyric acid NIST Chemistry WebBook
DES-AMINO T-BUTYL GLYCINE PDBeChem
t-butylacetic acid NIST Chemistry WebBook
tert-butylacetic acid ChemIDplus
Manual Xrefs Databases
DTG PDBeChem
LMFA01020079 LIPID MAPS
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Registry Numbers Types Sources
1070-83-3 CAS Registry Number NIST Chemistry WebBook
1070-83-3 CAS Registry Number ChemIDplus
1740427 Beilstein Registry Number Beilstein
662934 Gmelin Registry Number Gmelin
Citation Waiting for Citations Type Source
10710649 PubMed citation Europe PMC
Last Modified
11 October 2021