CAS 153336-13-1|1-Octanol-d17

Introduction：Basic information about CAS 153336-13-1|1-Octanol-d17, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 1-Octanol-d17 BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	1-Octanol-d17
CAS Number	153336-13-1	Molecular Weight	147.33300
Density	0.936 g/mL at 25ºC	Boiling Point	196ºC(lit.)
Molecular Formula	C₈HD₁₇O	Melting Point	-15ºC(lit.)
MSDS	USA	Flash Point	178 °F
Symbol	GHS07	Signal Word	Warning

Names

Name	1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctan-1-ol
Synonym	More Synonyms

1-Octanol-d17 BiologicalActivity

Description	1-Octanol-d17 is the deuterium labeled 1-Octanol[1]. 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[2]. 1-Octanol is a highly attractive biofuel with diesel-like properties[3].
Related Catalog	Signaling Pathways >>Membrane Transporter/Ion Channel >>Calcium Channel
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]. Joksovic PM, et al. Mechanisms of inhibition of T-type calcium current in the reticular thalamic neurons by 1-octanol: implication of the protein kinase C pathway. Mol Pharmacol. 2010 Jan;77(1):87-94. [3]. Akhtar MK, et al. Microbial production of 1-octanol: A naturally excreted biofuel with diesel-like properties. Metab Eng Commun. 2014 Nov 132:1-5.

Chemical & Physical Properties

Density	0.936 g/mL at 25ºC
Boiling Point	196ºC(lit.)
Melting Point	-15ºC(lit.)
Molecular Formula	C₈HD₁₇O
Molecular Weight	147.33300
Flash Point	178 °F
Exact Mass	147.24200
PSA	20.23000
LogP	2.33920
Vapour Pressure	0.114mmHg at 25°C
Index of Refraction	n20/D 1.426(lit.)
InChIKey	KBPLFHHGFOOTCA-OISRNESJSA-N
SMILES	CCCCCCCCO

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Hazard Codes	Xi: Irritant;
Risk Phrases	36/37/38
Safety Phrases	26-36
RIDADR	UN 3082 9/PG 3

Synonyms

1-Octan-d17-ol

Octyl-d17 alcohol

Capryl-d17 alcohol

MFCD00144995

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