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41740

Sigma-Aldrich

2,2-Dimethylvaleric acid

≥97.0%

Sinônimo(s):

2,2-Dimethylpentanoic acid, Neoheptanoic acid

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About This Item

Fórmula linear:
CH3CH2CH2C(CH3)2COOH
Número CAS:
1185-39-3
Peso molecular:
130.18
Beilstein:
1747703
Número CE:
214-682-4
Número MDL:
MFCD00021686
Código UNSPSC:
12352100
ID de substância PubChem:
57650085
NACRES:
NA.22

Ensaio

≥97.0%

forma

liquid

índice de refração

n20/D 1.422

densidade

0.918 g/mL at 20 °C (lit.)

cadeia de caracteres SMILES

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)

chave InChI

ZRYCZAWRXHAAPZ-UHFFFAOYSA-N

Descrição geral

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

Aplicação

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.

Pictogramas

Corrosion
GHS05

Palavra indicadora

Danger

Frases de perigo

H314

Classificações de perigo

Skin Corr. 1B

Código de classe de armazenamento

8A - Combustible corrosive hazardous materials

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

Not applicable

Ponto de fulgor (°C)

Not applicable

Equipamento de proteção individual

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

Certificados de análise (COA)

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Sigma-Aldrich

538701

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4-Pentenoic acid 97%

Sigma-Aldrich

245925

4-Pentenoic acid

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
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
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
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
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

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