52598-04-6

52598-04-6 structure

Name: 1-Hexanol-d3
Chemical Name: n-hexyl-1,1-d2 alcohol
CAS Number: 52598-04-6
Molecular Formula: C₆H₁₂D₂O
Molecular Weight: 104.18700
Catalog: Research Areas Others
Create Date: 2018-04-02 08:00:00
Modify Date: 2024-01-11 18:42:48
1-Hexanol-d3 is the deuterium labeled 1-Hexanol[1]. 1-Hexanol, a primary alcohol, is a surfactant that can be employed in industrial processes to enhance interfacial properties[2]. 1-Hexanol uncouples mitochondrial respiration by a non-protonophoric mechanism[3].

Name	n-hexyl-1,1-d2 alcohol

Description	1-Hexanol-d3 is the deuterium labeled 1-Hexanol[1]. 1-Hexanol, a primary alcohol, is a surfactant that can be employed in industrial processes to enhance interfacial properties[2]. 1-Hexanol uncouples mitochondrial respiration by a non-protonophoric mechanism[3].
Related Catalog	Research Areas >> Others Signaling Pathways >> Others >> Others
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. Cuong V Nguyen, et al. Surface potential of 1-hexanol solution: comparison with methyl isobutyl carbinol. J Phys Chem B. 2013 Jun 27;117(25):7615-20. [3]. M Canton, et al. The nature of uncoupling by n-hexane, 1-hexanethiol and 1-hexanol in rat liver mitochondria. Biochim Biophys Acta. 1996 May 201274(1-2):39-47.

Molecular Formula	C₆H₁₂D₂O
Molecular Weight	104.18700
Exact Mass	104.11700
PSA	20.23000
LogP	1.55900

123-66-0

~98%

52598-04-6

Literature: Duffault, Jean-Marc; Hanoteau, Pascal; Parrilla, Alfredo; Einhorn, Jacques Synthetic Communications, 1996 , vol. 26, # 17 p. 3257 - 3265

106-70-7

~91%

52598-04-6

Literature: Fujita, Kazuya; Yorimitsu, Hideki; Shinokubo, Hiroshi; Oshima, Koichiro Journal of the American Chemical Society, 2004 , vol. 126, # 21 p. 6776 - 6783

2051-49-2

~95%

52598-04-6

Literature: Schwab, John M.; Habib, Asif; Klassen, John B. Journal of the American Chemical Society, 1986 , vol. 108, # 17 p. 5304 - 5308

142-62-1

52598-04-6

Literature: Boden, Neville; Bushby, Richard J.; Clark, Leslie D. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , p. 543 - 551

142-61-0

52598-04-6

Literature: Makra, Ferenc; Rohloff, John C.; Muehldorf, A. V.; Link, John O. Tetrahedron Letters, 1995 , vol. 36, # 38 p. 6815 - 6818

Precursor 5
123-66-0 106-70-7 2051-49-2 142-62-1
142-61-0
DownStream 0

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