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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O2
Molecular Weight 116.1583
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3-DIMETHYLBUTANOIC ACID

SMILES

CC(C)(C)CC(O)=O

InChI

InChIKey=MLMQPDHYNJCQAO-UHFFFAOYSA-N
InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)

HIDE SMILES / InChI

Molecular Formula C6H12O2
Molecular Weight 116.1583
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns.
2004 Jun 11
Application of polymethacrylate resin as stationary phase in liquid chromatography with UV detection for C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines.
2004 Jun 11
Regulation of CYP2B6 in primary human hepatocytes by prototypical inducers.
2004 Mar
The DMAP-catalyzed acetylation of alcohols--a mechanistic study (DMAP = 4-(dimethylamino)pyridine).
2005 Aug 5
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:31:06 GMT 2023
Edited
by admin
on Fri Dec 15 16:31:06 GMT 2023
Record UNII
Q80K0TZQ55
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3-DIMETHYLBUTANOIC ACID
Systematic Name English
TERT-BUTYLACETIC ACID
MI  
Systematic Name English
3,3-DIMETHYL-BUTANOIC ACID
Systematic Name English
3,3-DIMETHYLBUTYRIC ACID
Systematic Name English
BUTYRIC ACID, .BETA.,.BETA.-DIMETHYL-
Common Name English
TERT-BUTYLACETIC ACID [MI]
Common Name English
BUTYRIC ACID, 3,3-DIMETHYL-
Common Name English
NSC-4537
Code English
Code System Code Type Description
FDA UNII
Q80K0TZQ55
Created by admin on Fri Dec 15 16:31:07 GMT 2023 , Edited by admin on Fri Dec 15 16:31:07 GMT 2023
PRIMARY
CHEBI
38647
Created by admin on Fri Dec 15 16:31:07 GMT 2023 , Edited by admin on Fri Dec 15 16:31:07 GMT 2023
PRIMARY
PUBCHEM
14057
Created by admin on Fri Dec 15 16:31:07 GMT 2023 , Edited by admin on Fri Dec 15 16:31:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID0061450
Created by admin on Fri Dec 15 16:31:07 GMT 2023 , Edited by admin on Fri Dec 15 16:31:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
213-982-2
Created by admin on Fri Dec 15 16:31:07 GMT 2023 , Edited by admin on Fri Dec 15 16:31:07 GMT 2023
PRIMARY
NSC
4537
Created by admin on Fri Dec 15 16:31:07 GMT 2023 , Edited by admin on Fri Dec 15 16:31:07 GMT 2023
PRIMARY
MERCK INDEX
m2810
Created by admin on Fri Dec 15 16:31:07 GMT 2023 , Edited by admin on Fri Dec 15 16:31:07 GMT 2023
PRIMARY Merck Index
CAS
1070-83-3
Created by admin on Fri Dec 15 16:31:07 GMT 2023 , Edited by admin on Fri Dec 15 16:31:07 GMT 2023
PRIMARY