CAS 204244-84-8|1-(2H13)Hexanol

Introduction：Basic information about CAS 204244-84-8|1-(2H13)Hexanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 1-(2H13)Hexanol BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	1-(2H13)Hexanol
CAS Number	204244-84-8	Molecular Weight	115.255
Density	0.8±0.1 g/cm3	Boiling Point	158.2±3.0 °C at 760 mmHg
Molecular Formula	C₆HD₁₃O	Melting Point	-52ºC(lit.)
MSDS	ChineseUSA	Flash Point	60.0±0.0 °C
Symbol	GHS02, GHS07	Signal Word	Warning

Names

Name	1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexan-1-ol
Synonym	More Synonyms

1-(2H13)Hexanol BiologicalActivity

Description	1-Hexanol-d13 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 >>OthersSignaling 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.

Chemical & Physical Properties

Density	0.8±0.1 g/cm3
Boiling Point	158.2±3.0 °C at 760 mmHg
Melting Point	-52ºC(lit.)
Molecular Formula	C₆HD₁₃O
Molecular Weight	115.255
Flash Point	60.0±0.0 °C
Exact Mass	115.186066
PSA	20.23000
LogP	1.94
Vapour Pressure	0.9±0.6 mmHg at 25°C
Index of Refraction	1.416
InChIKey	ZSIAUFGUXNUGDI-UTBWLCBWSA-N
SMILES	CCCCCCO

Safety Information

Symbol	GHS02, GHS07
Signal Word	Warning
Hazard Statements	H226-H302
Hazard Codes	Xn
Risk Phrases	R20/21/22
Safety Phrases	28
RIDADR	UN 2282 3/PG 3

Synonyms

(H)Hexan-1-ol

MFCD00144898

1-Hexan-d-ol

1-Hexan-d13-ol

n-Hexanol-d13

1-(H)Hexanol

Hexyl-d13 alcohol

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