D152609
2,2-Dimethylbutyric acid
96%
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About This Item
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
Related Categories
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
174.2 °F - closed cup
Flash Point(C)
79 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Abdullah Kutlar et al.
American journal of hematology, 88(11), E255-E260 (2013-07-06)
2,2-Dimethylbutyrate (HQK-1001), an orally-bioavailable promoter-targeted fetal globin gene-inducing agent, was evaluated in an open-label, randomized dose-escalation study in 52 subjects with hemoglobin SS or S/β(0) thalassemia. HQK-1001 was administered daily for 26 weeks at 30 mg/kg (n = 15), 40
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
Elise Wouters et al.
Drug testing and analysis, 11(8), 1183-1191 (2019-04-26)
Indole- and indazole-based synthetic cannabinoid receptor agonists (SCRAs), featuring valine or tert-leucine substituents, are commonly abused new psychoactive substances (NPS). A major metabolic pathway for these SCRAs is hydrolysis of the terminal amide or methylester functionalities. Although these hydrolysis products
Pramod S Terse et al.
Toxicologic pathology, 39(4), 614-622 (2011-05-12)
ST-20 (sodium 2,2-dimethylbutyrate) is a potential therapeutic agent for treatment of β-thalassemia and sickle cell disease. A subchronic oral toxicity study was conducted in Sprague-Dawley rats (10/sex/dose) at gavage dosages of 0 (vehicle control), 200, 600, or 1,000 mg/kg, once
Yan-li Tang et al.
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, 28(7), 627-629 (2004-05-14)
To provide the foundation for reasonable utilization by analyzing the essential oils of Ligularia virgaurea. The essential oils were extracted by using steam distillation and separated with GC capillary columns. The components were quantitatively determined with normalization method, and were
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