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Merck
CN

136824

3,3-二甲基-2-丁醇

98%

别名:

Pinacoline alcohol, 甲基叔丁基甲醇, 频哪醇

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关于此项目

线性分子式:
(CH3)3CCH(OH)CH3
化学文摘社编号:
分子量:
102.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-347-9
Beilstein/REAXYS Number:
1718948
MDL number:
Assay:
98%
Form:
liquid
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产品名称

3,3-二甲基-2-丁醇, 98%

InChI key

DFOXKPDFWGNLJU-UHFFFAOYSA-N

InChI

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

SMILES string

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

assay

98%

form

liquid

refractive index

n20/D 1.415 (lit.)

bp

119-121 °C (lit.)

mp

4.8 °C (lit.)

density

0.812 g/mL at 25 °C (lit.)

functional group

hydroxyl

Quality Level

Application

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.

General description

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.

pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

存储类别

3 - Flammable liquids

wgk

WGK 3

flash_point_f

78.8 °F - closed cup

flash_point_c

26 °C - closed cup

ppe

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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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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
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(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
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)
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)

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