CAS 159118-65-7|Octanoic acid-13C4

Introduction：Basic information about CAS 159118-65-7|Octanoic acid-13C4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Octanoic acid-13C4 BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Octanoic acid-13C4
CAS Number	159118-65-7	Molecular Weight	148.18200
Density	0.929 g/mL at 25ºC	Boiling Point	237ºC(lit.)
Molecular Formula	C₄₁₃C₄H₁₆O₂	Melting Point	16ºC(lit.)
MSDS	ChineseUSA	Flash Point	>230 °F(lit.)
Symbol	GHS05	Signal Word	Danger

Names

Name	Octanoic acid-1,2,3,4-13C4
Synonym	More Synonyms

Octanoic acid-13C4 BiologicalActivity

Description	Octanoic acid-13C4 (Caprylic acid-13C4) is the 13C labeled Octanoic acid. Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes.
Related Catalog	Research Areas >>Metabolic Disease
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;53(2):211-216.

Chemical & Physical Properties

Density	0.929 g/mL at 25ºC
Boiling Point	237ºC(lit.)
Melting Point	16ºC(lit.)
Molecular Formula	C₄₁₃C₄H₁₆O₂
Molecular Weight	148.18200
Flash Point	>230 °F(lit.)
Exact Mass	148.12800
PSA	37.30000
LogP	2.43150
Index of Refraction	n20/D 1.428(lit.)
InChIKey	WWZKQHOCKIZLMA-WKHKRNGSSA-N
SMILES	CCCCCCCC(=O)O

Safety Information

Symbol	GHS05
Signal Word	Danger
Hazard Statements	H314
Precautionary Statements	P280-P305 + P351 + P338-P310
Hazard Codes	C: Corrosive;
Risk Phrases	34
Safety Phrases	26-27-36/37/39-45
RIDADR	UN 3265 8/PG 2
WGK Germany	3

Synonyms

Caprylic acid-1,2,3,4-13C4

MFCD00209768

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