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Merck
CN

136824

Sigma-Aldrich

3,3-二甲基-2-丁醇

98%

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别名:
Pinacoline alcohol, 甲基叔丁基甲醇, 频哪醇
线性分子式:
(CH3)3CCH(OH)CH3
CAS号:
分子量:
102.17
Beilstein:
1718948
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

质量水平

检测方案

98%

形式

liquid

折射率

n20/D 1.415 (lit.)

bp

119-121 °C (lit.)

mp

4.8 °C (lit.)

密度

0.812 g/mL at 25 °C (lit.)

SMILES字符串

CC(O)C(C)(C)C

InChI

1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3

InChI key

DFOXKPDFWGNLJU-UHFFFAOYSA-N

一般描述

3,3-Dimethyl-2-butanol is a potential precursor for prohibited chemical weapons such as soman, a nerve agent. It is a synthetic analog of kairomone.

应用

3,3-Dimethyl-2-butanol (pinacolyl alcohol) can be used as a substrate:
  • To study the oxidation of secondary alcohols to ketones using cyclic microwave heating technique.
  • To prepare aryl ethers by reacting with aryl iodide using 4-pyrrolidinopyridine ligand via Cu-catalyzed Ullmann reaction.
3,3-Dimethyl-2-butanol was used in conversion of ribose- and glucose-binding proteins into receptors for pinacolyl methyl phosphonic acid.

象形图

Flame

警示用语:

Warning

危险声明

危险分类

Flam. Liq. 3

WGK

WGK 3

闪点(°F)

78.8 °F

闪点(°C)

26 °C

个人防护装备

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

法规信息

监管及禁止进口产品

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3, 3-Dimethyl-1-butanol, a parakairomone component to Aleurodicus dispersus (Hemiptera: Aleyrodidae).
Zheng L-X, et al.
Arthropod-Plant Interactions, 7, 1-7 (2013)
J T James et al.
Journal of applied toxicology : JAT, 7(2), 135-142 (1987-04-01)
Four groups of male and female Sprague-Dawley rats were exposed for 13 weeks to 3,3-dimethyl-2-butanol (PA) at concentrations of 0.00, 0.20, 1.00 or 5.00 mg/l (1 mg/l = 240 ppm). Exposures were for 6 hr per day, 5 days per
Fast oxidation of secondary alcohols by the bromate-bromide system using cyclic microwave heating in acidic water
Paakkonen S, et al.
Tetrahedron Letters, 51(51), 6695-6699 (2010)
Chemical ionization mass spectral analysis of pinacolyl alcohol and development of derivatization method using p-tolyl isocyanate.
Murty MRVS, et al.
Analytical Methods : Advancing Methods and Applications, 2(10), 1599-1605 (2010)
J T James et al.
Journal of applied toxicology : JAT, 7(5), 307-312 (1987-10-01)
Sprague-Dawley rats were given 15, 70 and 140 min exposures to 15 mg/l 3,3-dimethyl-2-butanol, pinacolyl alcohol (PA), or 6-hour exposures to 0.2, 1.0 and 5.0 mg/l PA (1 mg/l = 240 ppm). A 50% mortality rate was obtained at the

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