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595-37-9

Basic Information
CAS No.: 595-37-9
Name: 2,2-Dimethylbutyric acid
Article Data: 65
Molecular Structure:
Molecular Structure of 595-37-9 (2,2-Dimethylbutyric acid)
Formula: C6H12O2
Molecular Weight: 116.16
Synonyms: Butyricacid, 2,2-dimethyl- (6CI,7CI,8CI);Butyric acid, a,a-dimethyl- (3CI);2,2-Dimethylbutanoic acid;NSC16045;NSC 741804;Neohexanoic acid;a,a-Dimethylbutanoic acid;a,a-Dimethylbutyric acid;Butanoic acid,2,2-dimethyl-;
EINECS: 209-865-0
Density: 0.95 g/cm3
Melting Point: -14°C
Boiling Point: 187.3 °C at 760 mmHg
Flash Point: 80.6 °C
Appearance: white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37-36
PSA: 37.30000
LogP: 1.50720
Synthetic route
1955-45-9

pivalolactone

Me2CuMgBr

Me2CuMgBr

595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
In tetrahydrofuran 1.) -30 deg C, 1 h, 2.) 0 deg C, 1 h;91%
1955-45-9

pivalolactone

75-16-1

methylmagnesium bromide

595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
copper(l) iodide In tetrahydrofuran at 0℃; for 0.25h;80%
594-36-5

2-methyl-2-butylchloride

124-38-9

carbon dioxide

595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
Stage #1: 2-methyl-2-butylchloride With magnesium In tetrahydrofuran; toluene at 50 - 90℃; for 2h;
Stage #2: carbon dioxide In tetrahydrofuran; toluene at 35 - 45℃; for 1h;
Stage #3: With hydrogenchloride In tetrahydrofuran; water; toluene for 4h; Reflux;
72%
(i) Mg, THF, (ii) /BRN= 1900390/; Multistep reaction;
109-67-1

1-penten

201230-82-2

carbon monoxide

595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With Ph4(CO)12; sulfuric acid at 20℃; under 760.051 Torr; for 1h; Carbonylation;68%
With sulfuric acid; water at 20℃; under 760.051 Torr; Product distribution; Carbonylation; hydrolysis;70 % Chromat.
64-18-6

formic acid

513-35-9

2-methyl-but-2-ene

595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With sulfuric acid; pentane anschliessend mit Eiswasser;
2094-75-9

2,2-dimethylbutyraldehyde

595-37-9

2,2-dimethylbutyric acid

10276-09-2

2,2-dimethyl-but-3-enoic acid

595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With ethyl acetate; platinum Hydrogenation;
1185-33-7

2,2-Dimethyl-1-butanol

595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With chromium(III) oxide; sulfuric acid
Multi-step reaction with 2 steps
1: copper / 250 - 300 °C
View Scheme
20654-46-0

2,2-dimethylbutanenitrile

595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With hydrogenchloride at 100 - 120℃;
(i) H2SO4, (ii) aq. NaNO2; Multistep reaction;
102014-33-5

2,2-dimethyl-n-butyramide

595-37-9

2,2-dimethylbutyric acid

Conditions
ConditionsYield
With nitrosylsulfuric acid; sulfuric acid
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Chemistry


IUPAC Name: 2,2-dimethylbutanoic acid 
Empirical Formula: C6H12O2
Molecular Weight: 116.1583
Canonical SMILES: CCC(C)(C)C(=O)O
InChI: InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
InChIKey: VUAXHMVRKOTJKP-UHFFFAOYSA-N
Melting Point: -14 °C
Decomposition: 176-178 ºC
EINECS: 209-865-0 
Index of Refraction: 1.426
Molar Refractivity: 31.37 cm3
Molar Volume: 122.2 cm3
Surface Tension: 30.6 dyne/cm
Density: 0.95 g/cm3
Flash Point: 80.6 °C
Enthalpy of Vaporization: 46.69 kJ/mol
Boiling Point: 187.3 °C at 760 mmHg
Vapour Pressure: 0.286 mmHg at 25 °C
Product Categories of 2,2-Dimethylbutyric acid (CAS NO.595-37-9):  Organic acids; C6; Carbonyl Compounds; Carboxylic Acids

Uses

 2,2-Dimethylbutyric acid is mainly used in medicine intermediate ,pesticide intermediate,and  lubricant, etc.

Safety Profile

Hazard Codes:IrritantXi
Risk Statements:
R36/37/38:  Irritating to eyes, respiratory system and skin  
Safety Statements:
S26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
S36/37:  Wear suitable protective clothing and gloves 
S36:  Wear suitable protective clothing

Specification

 2,2-Dimethylbutyric acid  (CAS NO.595-37-9), its Synonyms are Butanoic acid, 2,2-dimethyl- ;.alpha., .alpha.-Dimethylbutyric acid ;.alpha.,.alpha.-Dimethylbutanoic acid  .