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2,2-Dimethylbutyric acid CAS 595-37-9

2,2-dimethylbutanoic acid CAS 595-37-9

Name:    2,2-Dimethylbutyric acid
Synonyms:    2,2-Dimethylbuttersαure;alpha,alpha-Dimethylbutanoic acid;alpha,alpha-Dimethylbutyric acid;Butanoicacid,2,2-dimethyl-;Butyric acid, 2,2-dimethyl-;DIMETHYLETHYLACETIC ACID;2,2-DIMETHYL-N-BUTYRIC ACID;2,2'-DIMETHYL BUTANOIC ACID
CAS:    595-37-9
MF:    C6H12O2
MW:    116.16
EINECS:    209-865-0
Product Categories:    Organic acids;C6;Carbonyl Compounds;Carboxylic Acids;Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;intermediates
Mol File:    595-37-9.mol
2,2-Dimethylbutyric acid Structure
2,2-Dimethylbutyric acid Chemical Properties
Melting point     -14°C
Boiling point     94-96 °C5 mm Hg(lit.)
density     0.928 g/mL at 25 °C(lit.)
refractive index     n20/D 1.4154(lit.)
Fp     175 °F
form     Liquid
pka    pK1:5.03 (18°C)
color     Clear colorless to pale yellow
Specific Gravity    0.928
Decomposition     176-178 ºC
BRN     1720666
InChIKey    VUAXHMVRKOTJKP-UHFFFAOYSA-N
CAS DataBase Reference    595-37-9(CAS DataBase Reference)
NIST Chemistry Reference    Butanoic acid, 2,2-dimethyl-(595-37-9)
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 Information     

Synonyms     

2,2-Dimethylbutyric acid; Butanoic acid, 2,2-dimethyl-; 2,2-dimethylbutanoic acid;
CAS No.     595-37-9
Molecular Formula     C6H12O2
Molecular Weight     116.15800
PSA     37.30000
LogP     1.50720
Properties
Appearance & Physical State     colorless liquid
Density     0.928
Boiling Point     94-96ºC (5 mmHg)
Melting Point     -14ºC
Flash Point     175 °F
Refractive Index     1.4154
Safety Info
Safety Statements     S26-S36/37
HS Code     2915600000

2,2-Dimethylbutyric acid Usage And Synthesis
Chemical Properties    Colorless to light yellow or light green liquid
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.
2,2-Dimethylbutyric acid Preparation Products And Raw materials