1-Hexanol-d3

Modify Date: 2024-01-11 18:42:48

1-Hexanol-d3 Structure
1-Hexanol-d3 structure
Common Name 1-Hexanol-d3
CAS Number 52598-04-6 Molecular Weight 104.18700
Density N/A Boiling Point N/A
Molecular Formula C6H12D2O Melting Point N/A
MSDS N/A Flash Point N/A

 Use of 1-Hexanol-d3


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].

 Names

Name n-hexyl-1,1-d2 alcohol

 1-Hexanol-d3 Biological Activity

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
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.  

 Chemical & Physical Properties

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

 Synthetic Route

~98%

1-Hexanol-d3 Structure

1-Hexanol-d3

CAS#:52598-04-6

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

~91%

1-Hexanol-d3 Structure

1-Hexanol-d3

CAS#: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

~95%

1-Hexanol-d3 Structure

1-Hexanol-d3

CAS#: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

~%

1-Hexanol-d3 Structure

1-Hexanol-d3

CAS#: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

~%

1-Hexanol-d3 Structure

1-Hexanol-d3

CAS#:52598-04-6

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