41740
2,2-Dimethylvaleric acid
≥97.0%
Synonym(s):
2,2-Dimethylpentanoic acid, Neoheptanoic acid
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About This Item
Linear Formula:
CH3CH2CH2C(CH3)2COOH
CAS Number:
Molecular Weight:
130.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
214-682-4
Beilstein/REAXYS Number:
1747703
MDL number:
Assay:
≥97.0%
Form:
liquid
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.
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Regulatory Information
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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
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
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 41740-5ML | 04061836692278 |