2,2-Dimethylbutyric acid

2,2-Dimethylbutyric acid Basic information

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

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.)
Fp	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)

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

Provider	Language
2,2-Dimethylbutyric acid	English
SigmaAldrich	English
ALFA	English

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

2,2-Dimethylbutyric acid Preparation Products And Raw materials

Raw materials	carbon monoxide-->1,1-DIMETHYLPROPYLMAGNESIUM CHLORIDE-->2-CHLORO-2-METHYLBUTANE-->SODIUM ISOBUTYRATE-->Methylmagnesium Bromide-->4-Methylvaleric acid-->2,2-Dimethylbutanoic acid methyl ester-->Pivalolactone.-->2,2-DIMETHYLVALERIC ACID-->2-Butanone-->2,2-DIMETHYL-1-BUTANOL-->2-Methyl-2-butanol
Preparation Products	Butanamide, 2,2-dimethyl-

α,α-dimethylbutyric acid 2-Oxo-3,3-dimethylbutyric acid (R)-2-Benzyl-2,3-dimethylbutyric acid,(2R)-2-Benzyl-2,3-dimethylbutyric acid (2S)-2-Hydroxy-3,3-dimethylbutyric acid (R)-2,4-Dihydroxy-3,3-dimethylbutyric acid,[R,(+)]-2,4-Dihydroxy-3,3-dimethylbutyric acid [R,(-)]-2-Hydroxy-3,3-dimethylbutyric acid [S,(-)]-2-Benzyl-2,3-dimethylbutyric acid,(2S)-2-Benzyl-2,3-dimethylbutyric acid Hydrocortisone-17-butyrate Ethyl 2-(Chlorosulfonyl)acetate (2S)-2-Hydroxy-3,3-dimethylbutanoic acid homopolymer Ascoric Acid [S,(+)]-2,4-Bis(acetyloxy)-3,3-dimethylbutyric acid L-tert-Leucine hydrochloride CELLULOSE ACETATE BUTYRATE [R,(-)]-2-Chloro-3,3-dimethylbutyric acid [R,(+)]-2-Acetylamino-3,3-dimethylbutyric acid MCPB (R)-2,3-Dimethylbutanoicacid

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