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136824

Sigma-Aldrich

3,3-Dimethyl-2-butanol

98%

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Synonym(s):
tert-Butyl methyl carbinol, Pinacoline alcohol, Pinacolyl alcohol
Linear Formula:
(CH3)3CCH(OH)CH3
CAS Number:
Molecular Weight:
102.17
Beilstein:
1718948
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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.)

SMILES string

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

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This Item
19460152463133051
3,3-Dimethyl-2-butanol 98%

Sigma-Aldrich

136824

3,3-Dimethyl-2-butanol

-
tert-Butanol puriss. p.a., ACS reagent, ≥99.7% (GC)

Sigma-Aldrich

19460

tert-Butanol

Essential Grade
2-Methyl-2-butanol ReagentPlus®, 99%

Sigma-Aldrich

152463

2-Methyl-2-butanol

-
2-Methyl-1-butanol ≥99%

Sigma-Aldrich

133051

2-Methyl-1-butanol

-
form

liquid

form

solid or liquid

form

liquid

form

liquid

refractive index

n20/D 1.415 (lit.)

refractive index

n20/D 1.387 (lit.)

refractive index

n20/D 1.405 (lit.)

refractive index

n20/D 1.410±0.002 (lit.)

bp

119-121 °C (lit.)

bp

83 °C (lit.)

bp

102 °C (lit.)

bp

130 °C mmHg (lit.)

mp

4.8 °C (lit.)

mp

23-26 °C (lit.)

mp

−12 °C (lit.)

mp

-

density

0.812 g/mL at 25 °C (lit.)

density

0.775 g/mL at 25 °C (lit.)

density

0.805 g/mL at 25 °C (lit.)

density

0.819 g/mL at 20 °C (lit.), 0.815 g/mL at 25 °C (lit.)

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.

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.

Pictograms

Flame

Signal Word

Warning

Hazard Statements

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

78.8 °F - closed cup

Flash Point(C)

26 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Customers Also Viewed

Slide 1 of 7

1 of 7

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
Ullmann CO coupling of sterically hindered secondary alcohols using excess amount of strongly coordinating monodentate ligands
Sugata H, et al.
Tetrahedron Letters, 58(10), 1015-1019 (2017)
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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