3,3-dimethyl-2-butanol
3,3-dimethyl-2-butanol structure
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Common Name | 3,3-dimethyl-2-butanol | ||
|---|---|---|---|---|
| CAS Number | 464-07-3 | Molecular Weight | 102.17500 | |
| Density | 0.812 g/mL at 25 °C(lit.) | Boiling Point | 119-121 °C(lit.) | |
| Molecular Formula | C6H14O | Melting Point | 4.8 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 84 °F | |
| Symbol |
GHS02 |
Signal Word | Warning | |
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Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins
Bioorg. Med. Chem. 17 , 896-904, (2009) This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the mole... |
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A novel carbonyl reductase with anti-Prelog stereospecificity from Acetobacter sp. CCTCC M209061: purification and characterization.
PLoS ONE 9(4) , e94543, (2014) A novel carbonyl reductase (AcCR) catalyzing the asymmetric reduction of ketones to enantiopure alcohols with anti-Prelog stereoselectivity was found in Acetobacter sp. CCTCC M209061 and enriched 27.5-fold with an overall yield of 0.4% by purification. The en... |
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Production of buttery-odor compounds and transcriptome response in Leuconostoc gelidum subsp. gasicomitatum LMG18811T during growth on various carbon sources.
Appl. Environ. Microbiol. 81(6) , 1902-8, (2015) Leuconostoc gelidum subsp. gasicomitatum is a common spoilage bacterium in meat products packaged under oxygen-containing modified atmospheres. Buttery off-odors related to diacetyl/acetoin formation are frequently associated with the spoilage of these produc... |
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Computational design of receptors for an organophosphate surrogate of the nerve agent soman.
Proc. Natl. Acad. Sci. U. S. A. 101(21) , 7907-12, (2004) We report the computational design of soluble protein receptors for pinacolyl methyl phosphonic acid (PMPA), the predominant hydrolytic product of the nerve agent soman. Using recently developed computational protein design techniques, the ligand-binding pock... |
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Enantioselectivity in Candida antarctica lipase B: a molecular dynamics study.
Protein Sci. 10(2) , 329-38, (2001) A major problem in predicting the enantioselectivity of an enzyme toward substrate molecules is that even high selectivity toward one substrate enantiomer over the other corresponds to a very small difference in free energy. However, total free energies in en... |
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Enhancement of hepatic microsomal esterase activity following soman pretreatment in guinea pigs.
Biochem. Pharmacol. 46(11) , 2083-92, (1993) 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 p... |
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Automated analysis of rabbit sperm motility and the effect of chemicals on sperm motion parameters.
Mol. Reprod. Dev. 33(3) , 347-56, (1992) Appropriate software settings and optimum procedures were determined for the measurement of the motion parameters of rabbit spermatozoa by the CellSoft (Cryo Resources Ltd., Montgomery, NY) computer-assisted digital image analysis system. The system was used ... |
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A 13-week vapor inhalation study of 3,3-dimethyl-2-butanol in Sprague-Dawley rats.
J. Appl. Toxicol. 7(2) , 135-42, (1987) 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 week with sacrifices at 7 and 13 wee... |
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Acute inhalation toxicity of 3,3-dimethyl-2-butanol in Sprague-Dawley rats.
J. Appl. Toxicol. 7(5) , 307-12, (1987) 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 longest exposure to 15 mg/l. Se... |
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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.
Anal. Methods 2(10) , 1599-1605, (2010)
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