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41740

Sigma-Aldrich

2,2-Dimethylvaleric acid

≥97.0%

Sinónimos:

2,2-Dimethylpentanoic acid, Neoheptanoic acid

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About This Item

Fórmula lineal:
CH3CH2CH2C(CH3)2COOH
Número de CAS:
1185-39-3
Peso molecular:
130.18
Beilstein/REAXYS Number:
1747703
EC Number:
214-682-4
MDL number:
MFCD00021686
UNSPSC Code:
12352100
PubChem Substance ID:
57650085
NACRES:
NA.22

assay

≥97.0%

form

liquid

refractive index

n20/D 1.422

density

0.918 g/mL at 20 °C (lit.)

SMILES string

CCCC(C)(C)C(O)=O

InChI

1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)

InChI key

ZRYCZAWRXHAAPZ-UHFFFAOYSA-N

General description

2,2-Dimethylvaleric acid is a branched-chain-fatty acid. It is a structural analog of di-n-propylacetate (DPA).

Application

2,2-Dimethylvaleric acid may be employed as internal standard for the liquid chromatography-mass spectrometric determination of 2,2-dimethylbutyrate (DMB) in rat plasma.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Certificados de análisis (COA)

Lot/Batch Number
BCBT4513
BCBS4980V
BCBK6759V
BCBJ9742V

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Sigma-Aldrich

538701

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4-Pentenoic acid 97%

Sigma-Aldrich

245925

4-Pentenoic acid

J Cunningham et al.
Journal of neurochemistry, 34(1), 197-202 (1980-01-01)
The oxidation of 4-aminobutyric acid (GABA) by nonsynaptosomal mitochondria isolated from rat forebrain and the inhibition of this metabolism by the branched-chain fatty acids 2-methyl-2-ethyl caproate (MEC) and 2.2-dimethyl valerate (DMV) were studied. The rate of GABA oxidation, as measured
J W van der Laan et al.
Pharmacology, biochemistry, and behavior, 13(6), 843-849 (1980-12-01)
An increase in GABA-ergic activity has been implicated in the initiation of quasi-morphine abstinence behavior by di-n-propylacetate (DPA). Two structural analogues of DPA, namely, the branched-chain-fatty acid 2-methyl, 2-ethylcaproic acid and 2,2-dimethylvaleric acid have now been used to study this
Jorge F Henriques et al.
Aquatic toxicology (Amsterdam, Netherlands), 170, 355-364 (2015-10-21)
Pharmaceuticals are emerging contaminants as their worldwide consumption increases. Fibrates such as gemfibrozil (GEM) are used in human medicine to reduce blood concentrations of cholesterol and triacylglycerol and also are some of the most frequently reported pharmaceuticals in waste waters
Robert A Parise et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 862(1-2), 168-174 (2007-12-25)
2,2-Dimethylbutyrate (DMB) is a potential treatment for thalassemia and hemoglobinopathies. To facilitate pharmacokinetic evaluation of DMB, we developed an LC-MS assay and quantitated DMB in plasma of rats after an oral dose of 500mg/kg. After acetonitrile protein precipitation, DMB and
Ségolène Siméon et al.
Reproductive toxicology (Elmsford, N.Y.), 93, 219-229 (2020-03-03)
In order to better explain, predict, or extrapolate to humans the developmental toxicity effects of chemicals to zebrafish (Danio rerio) embryos, we developed a physiologically-based pharmacokinetic (PBPK) model designed to predict organ concentrations of neutral or ionizable chemicals, up to

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