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1070-83-3,MFCD00002715
Catalog No.:AA003IAO
1070-83-3 | 3,3-Dimethylbutyric acid
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Technical Information
Catalog Number:
AA003IAO
Chemical Name:
3,3-Dimethylbutyric acid
CAS Number:
1070-83-3
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD00002715
IUPAC Name:
3,3-dimethylbutanoic acid
InChI:
InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
InChI Key:
MLMQPDHYNJCQAO-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C)(C)C
EC Number:
213-982-2
UNII:
Q80K0TZQ55
NSC Number:
4537
Properties
Computed Properties
 
Complexity:
89.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
3,3-DIMETHYLBUTYRIC ACID 
1070-83-3 
3,3-dimethyl-butyric acid 
3,3-Dimethyl-n-butyric acid 
Q80K0TZQ55 
CHEBI:38647 
MLMQPDHYNJCQAO-UHFFFAOYSA-N 
tert-Butylacetic acid, 98% 
tert-Butyric acid 
tertbutylacetic acid 
NSC 4537 
EINECS 213-982-2 
3,3-Dimethylbutanoic acid 
AI3-19252 
Butyric acid,3-dimethyl- 
ACMC-1BOY1 
Butanoic acid,3-dimethyl- 
(CH3)3CCH2COOH 
AC1Q1MI0 
3,3-dimethyl butanoic acid 
SCHEMBL71379 
KSC179I7N 
Butanoicacid, 3,3-dimethyl- 
tert-Butylacetic acid 
3,3,3-trimethylpropionic acid 
Jsp000630 
CHEMBL1232385 
DTXSID0061450 
CTK0H9476 
DES-AMINO T-BUTYL GLYCINE 
NSC4537 
3,3-Dimethylbutyric acid, 98% 
ZINC388597 
AC1L2318 
t-Butylacetic acid 
ACT06987 
BCP21764 
NSC-4537 
STR03445 
ANW-15478 
LMFA01020079 
SBB061347 
STL168054 
AKOS000119558 
Butyric acid, 3,3-dimethyl- (8CI) 
Butanoic acid, 3,3-dimethyl- 
CS-W013611 
MCULE-8746589287 
RP19231 
RTR-001382 
TRA0075772 
AJ-20707 
AK-46605 
AN-48392 
BC200722 
BR-46605 
3,3-dimethyl-butanoic acid 
L406 
SC-22389 
DB-040729 
ST2410228 
TR-001382 
AM20080023 
B0826 
FT-0614077 
ST51047370 
M-6128 
UNII-Q80K0TZQ55 
79371-EP2305695A2 
79371-EP2305696A2 
79371-EP2305697A2 
79371-EP2305698A2 
I04-0542 
J-511082 
F2191-0081 
Z1258948131 
InChI=1/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8 
3,3-Dimethylbutansaure 
Butyric acid, 3,3-dimethyl- 
C6H12O2 
CID14057 
C6-H12-O2 
3,3-dimethylbutyric acid, 98% 25g 
FA(6:0) 
3,3-Dimethylbutyric acid, 98% - 100G 100g 
MFCD00002715 
Literature

Title: Herbicidal activity of cineole derivatives.

Journal: Journal of agricultural and food chemistry 20100922

Title: The DMAP-catalyzed acetylation of alcohols--a mechanistic study (DMAP = 4-(dimethylamino)pyridine).

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20050805

Title: Application of polymethacrylate resin as stationary phase in liquid chromatography with UV detection for C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines.

Journal: Journal of chromatography. A 20040611

Title: Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns.

Journal: Journal of chromatography. A 20040611

Title: Regulation of CYP2B6 in primary human hepatocytes by prototypical inducers.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20040301

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