136824
3,3-Dimethyl-2-butanol
98%
Synonym(s):
tert-Butyl methyl carbinol, Pinacoline alcohol, Pinacolyl alcohol
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About This Item
Linear Formula:
(CH3)3CCH(OH)CH3
CAS Number:
Molecular Weight:
102.17
Beilstein/REAXYS Number:
1718948
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
form:
liquid
assay:
98%
Recommended Products
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.)
functional group
hydroxyl
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
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.
signalword
Warning
hcodes
Hazard Classifications
Flam. Liq. 3
Storage Class
3 - Flammable liquids
wgk_germany
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
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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)
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)
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
W E Luttrell et al.
Biochemical pharmacology, 46(11), 2083-2092 (1993-12-03)
Soman (pinacolyl methylphosphonofluoridate), a highly toxic organophosphate compound, has been found to be a strong inhibitor of hepatic microsomal carboxylesterase in vitro, but an enhancer of carboxylesterase when administered in vivo. In response to this paradoxical observation, the objective of
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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