1-Hexanol-d11

• CAT Number: I041495
• CAS Number: 2159-18-4
• Molecular Formula: C6H3D11O
• Molecular Weight: 113.24
• Purity: ≥95%
• Synonyms: 2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexan-1-ol
• InChI: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2
• InChIKey: ZSIAUFGUXNUGDI-GILSBCIXSA-N
• SMILES: CCCCCCO

1‑Hexanol‑d11 (Cat No.: I041495) is the fully deuterated analog of n‑hexan‑1‑ol, containing eleven deuterium atoms across its six‑carbon chain. This isotopically labeled primary alcohol is employed as an internal standard in quantitative GC‑MS and LC‑MS assays, facilitating precise determination of volatile or semi‑volatile analytes. In NMR spectroscopy it assists with peak assignment and kinetic isotope effect studies. Synthetic chemists use 1‑hexanol‑d11 to trace reaction pathways, probe hydrogen‑bonding dynamics, and generate deuterium‑enriched derivatives for mechanistic investigations, and advanced materials research.

Reference

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.
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[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.
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[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.
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