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136824 Aldrich

3,3-Dimethyl-2-butanol

98%

Synonym: tert-Butyl methyl carbinol, Pinacoline alcohol, Pinacolyl alcohol

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Properties

Related Categories Alcohols, Building Blocks, C2 to C6, Chemical Synthesis, Organic Building Blocks,
assay   98%
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.)

Description

Packaging

25, 100 g in glass bottle

Application

3,3-Dimethyl-2-butanol was used in conversion of ribose- and glucose-binding proteins into receptors for pinacolyl methyl phosphonic acid1.

General description

3,3-Dimethyl-2-butanol is a potential precursor for prohibited chemical weapons such as soman, a nerve agent2. It is synthetic analogues of kairomone3.

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Safety & Documentation

Safety Information

Symbol 
GHS02  GHS02
Signal word 
Warning
Hazard statements 
RIDADR 
UN 1987C 3 / PGIII
WGK Germany 
3
RTECS 
EL2276000
Flash Point(F) 
78.8 °F
Flash Point(C) 
26 °C

Protocols & Articles

Peer-Reviewed Papers

References

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1. Computational design of receptors for an organophosphate surrogate of the nerve agent soman. Allert M, Rizk SS, Looger LL, et al. Proc. Natl. Acad. Sci. U. S. A. 101(21), 7907-12, (2004)

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2. Chemical ionization mass spectral analysis of pinacolyl alcohol and development of derivatization method using p-tolyl isocyanate. Murty MRVS, et al. Anal. Methods 2(10), 1599-1605, (2010)

3. 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)

Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins. Alfonso Pérez-Garrido et al Bioorg. Med. Chem. 17, 896-904, (2009)

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Enantioselectivity in Candida antarctica lipase B: a molecular dynamics study. Raza S, Fransson L, and Hult K Protein Sci. 10(2), 329-38, (2001)

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Enhancement of hepatic microsomal esterase activity following soman pretreatment in guinea pigs. Luttrell WE and Castle MC Biochem. Pharmacol. 46(11), 2083-92, (1993)

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Automated analysis of rabbit sperm motility and the effect of chemicals on sperm motion parameters. Young RJ, Bodt BA, Iturralde TG, et al. Mol. Reprod. Dev. 33(3), 347-56, (1992)

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A 13-week vapor inhalation study of 3,3-dimethyl-2-butanol in Sprague-Dawley rats. James JT, Armstrong RD, Leach G, et al. J. Appl. Toxicol. 7(2), 135-42, (1987)

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Acute inhalation toxicity of 3,3-dimethyl-2-butanol in Sprague-Dawley rats. James JT, Infiesto BP, and Landauer MR J. Appl. Toxicol. 7(5), 307-12, (1987)

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Beil. 1,IV,1727

Aldrich MSDS 1, 760:A / Corp MSDS 1 (1), 1359:C / FT-IR 1 (1), 122:D / FT-IR 2 (1), 177:B / FT-NMR 1 (1), 184:B / IR-Spectra (2), 71:C / IR-Spectra (3), 73:E / NMR-Reference 2 (1), 115:A / RegBook 1 (1), 133:E / Structure Index 1, 15:C:9 / Vapor Phase 3, 173:C

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