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Key Documents

D152609

Sigma-Aldrich

2,2-Dimethylbutyric acid

96%

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About This Item

Linear Formula:
C2H5C(CH3)2CO2H
CAS Number:
Molecular Weight:
116.16
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

96%

form

liquid

refractive index

n20/D 1.4154 (lit.)

bp

94-96 °C/5 mmHg (lit.)

density

0.928 g/mL at 25 °C (lit.)

SMILES string

CCC(C)(C)C(O)=O

InChI

1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)

InChI key

VUAXHMVRKOTJKP-UHFFFAOYSA-N

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

174.2 °F - closed cup

flash_point_c

79 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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Pramod S Terse et al.
Toxicologic pathology, 39(4), 614-622 (2011-05-12)
ST-20 (sodium 2,2-dimethylbutyrate) is a potential therapeutic agent for treatment of β-thalassemia and sickle cell disease. A subchronic oral toxicity study was conducted in Sprague-Dawley rats (10/sex/dose) at gavage dosages of 0 (vehicle control), 200, 600, or 1,000 mg/kg, once
Elise Wouters et al.
Drug testing and analysis, 11(8), 1183-1191 (2019-04-26)
Indole- and indazole-based synthetic cannabinoid receptor agonists (SCRAs), featuring valine or tert-leucine substituents, are commonly abused new psychoactive substances (NPS). A major metabolic pathway for these SCRAs is hydrolysis of the terminal amide or methylester functionalities. Although these hydrolysis products
Abdullah Kutlar et al.
American journal of hematology, 87(11), 1017-1021 (2012-08-14)
Therapeutics which reduce the pathology in sickle cell syndromes are needed, particularly noncytotoxic therapeutics. Fetal hemoglobin (HbF, α(2) γ(2) ) is established as a major regulator of disease severity; increased HbF levels correlate with milder clinical courses and improved survival.
N Uchiyama et al.
European journal of drug metabolism and pharmacokinetics, 16(3), 189-196 (1991-07-01)
Metabolic pathways of simvastatin (MK-733), a lactone prodrug of an inhibitor of HMG-CoA reductase, were elucidated in male rats, using the [14C]-labelled compound. Evidence has been obtained for hydrolysis of simvastatin and its metabolites at their 2,2-dimethylbutyryl moieties. Metabolites identified
Suthat Fucharoen et al.
British journal of haematology, 161(4), 587-593 (2013-03-28)
β-thalassaemia intermedia (BTI) syndromes cause haemolytic anaemia, ineffective erythropoiesis, and widespread complications. Higher fetal globin expression within genotypes reduces globin imbalance and ameliorates anaemia. Sodium 2,2 dimethylbutyrate (HQK-1001), an orally bioavailable short-chain fatty acid derivative, induces γ-globin expression experimentally and

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