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Merck
CN

D152609

2,2-二甲基丁酸

96%

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线性分子式:
C2H5C(CH3)2CO2H
化学文摘社编号:
分子量:
116.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
209-865-0
MDL number:
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产品名称

2,2-二甲基丁酸, 96%

InChI key

VUAXHMVRKOTJKP-UHFFFAOYSA-N

InChI

1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)

SMILES string

CCC(C)(C)C(O)=O

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.)

Quality Level

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

存储类别

10 - Combustible liquids

wgk

WGK 3

flash_point_f

174.2 °F - closed cup

flash_point_c

79 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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
Suthat Fucharoen et al.
British journal of haematology, 161(4), 587-593 (2013-03-28)
β-thalassaemia intermedia (BTI) syndromes cause haemolytic anaemia, ineffective erythropoiesis, and widespread complications. Higher fetal globin expression within genotypes reduces globin imbalance and ameliorates anaemia. Sodium 2,2 dimethylbutyrate (HQK-1001), an orally bioavailable short-chain fatty acid derivative, induces γ-globin expression experimentally and
Bridgette Wilson et al.
The American journal of gastroenterology, 115(6), 906-915 (2020-05-21)
The low FODMAP diet (LFD) reduces symptoms and bifidobacteria in irritable bowel syndrome (IBS). β-galactooligosaccharides (B-GOS) may reduce the symptoms and increase bifidobacteria in IBS. We investigated whether B-GOS supplementation alongside the LFD improves IBS symptoms while preventing the decline
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
Brandon C Presley et al.
Rapid communications in mass spectrometry : RCM, 34(22), e8908-e8908 (2020-07-28)
Indazole carboxamide synthetic cannabinoids, a prevalent class of recreational drugs, are a major clinical, forensic and public health challenge. One such compound, 5F-ADB, has been implicated in fatalities worldwide. Understanding its metabolism and distribution facilitates the development of laboratory assays

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