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Merck
CN

41740

Sigma-Aldrich

2,2-二甲基戊酸

≥97.0%

别名:

2,2-二甲基正戊酸, Neoheptanoic acid

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About This Item

线性分子式:
CH3CH2CH2C(CH3)2COOH
CAS号:
分子量:
130.18
Beilstein:
1747703
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

方案

≥97.0%

表单

liquid

折射率

n20/D 1.422

密度

0.918 g/mL at 20 °C (lit.)

SMILES字符串

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

一般描述

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

应用

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.

象形图

Corrosion

警示用语:

Danger

危险声明

危险分类

Skin Corr. 1B

储存分类代码

8A - Combustible corrosive hazardous materials

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

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

法规信息

新产品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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 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
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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