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D152609

Sigma-Aldrich

2,2-Dimethylbutyric acid

96%

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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

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

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

WGK

WGK 3

Flash Point(F)

174.2 °F

Flash Point(C)

79 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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.
Susan P Perrine et al.
Journal of clinical pharmacology, 51(8), 1186-1194 (2011-03-23)
Pharmacologic induction of fetal globin synthesis is an accepted therapeutic strategy for treatment of the beta hemoglobinopathies and thalassemias, as even small increases in hemoglobin F (HbF) levels reduce clinical severity in sickle cell disease (SCD) and reduce anemia in
Brandon C Presley et al.
Rapid communications in mass spectrometry : RCM, 34(22), e8908-e8908 (2020-07-28)
Indazole carboxamide synthetic cannabinoids, a prevalent class of recreational drugs, are a major clinical, forensic and public health challenge. One such compound, 5F-ADB, has been implicated in fatalities worldwide. Understanding its metabolism and distribution facilitates the development of laboratory assays
Ruoting Xu et al.
Frontiers in immunology, 11, 1994-1994 (2020-09-26)
Encephalitis, the inflammation of the brain, may be caused by an infection or an autoimmune reaction. However, few researches were focused on the gut microbiome characteristics in encephalitis patients. A prospective observational study was conducted in an academic hospital in
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

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