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2,2-Dimethylbutyric acid

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2,2-Dimethylbutyric acid Basic information

Product Name:
2,2-Dimethylbutyric acid
Synonyms:
  • NEOHEXANOIC ACID
  • DiMethylbutyric Aci
  • 2,2-two Methyl butyrate
  • 2,2-DIMETHYL-N-BUTYRIC ACI
  • 2,2-Dimethylbutyric acid 96%
  • 2,2-Dimethylbutyric acid 595-37-9
  • 2,2-Dimethylbutyricacid,97%
  • 2,2-Dimethylbutanoic
CAS:
595-37-9
MF:
C6H12O2
MW:
116.16
EINECS:
209-865-0
Product Categories:
  • intermediates
  • Chemical Synthesis
  • Building Blocks
  • Carbonyl Compounds
  • Carboxylic Acids
  • Organic Building Blocks
  • Organic acids
  • C6
  • Carbonyl Compounds
  • Carboxylic Acids
Mol File:
595-37-9.mol
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2,2-Dimethylbutyric acid Chemical Properties

Melting point:
-14°C
Boiling point:
94-96 °C/5 mmHg (lit.)
Density 
0.928 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.4154(lit.)
Flash point:
175 °F
storage temp. 
Refrigerator
solubility 
Chloroform (Sparingly), Methanol (Slightly)
pka
pK1:5.03 (18°C)
form 
Liquid
color 
Clear colorless to pale yellow
Specific Gravity
0.928
Decomposition 
176-178 ºC
BRN 
1720666
InChIKey
VUAXHMVRKOTJKP-UHFFFAOYSA-N
LogP
1-2.3 at 20℃ and pH2.5-6.7
CAS DataBase Reference
595-37-9(CAS DataBase Reference)
NIST Chemistry Reference
Butanoic acid, 2,2-dimethyl-(595-37-9)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36/37-36
RIDADR 
3265
WGK Germany 
3
HazardClass 
8
PackingGroup 
III
HS Code 
29156000

MSDS

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2,2-Dimethylbutyric acid Usage And Synthesis

Chemical Properties

Colorless to light yellow or light green liquid

Uses

2,2-Dimethylbutyrate (DMB) is a potential treatment for thalassemia and hemoglobinopathies.

Definition

ChEBI: A branched-chain fatty acid and metabolite of the lactone prodrug simvastatin, whose sodium salt is potentially useful for the treatment of thalassaemias and haemoglobinopathies.

Synthesis Reference(s)

Synthetic Communications, 19, p. 1945, 1989 DOI: 10.1080/00397918908052587

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