CAS 121578-12-9|(2H28)Tridecane

Introduction：Basic information about CAS 121578-12-9|(2H28)Tridecane, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name(2H28)Tridecane
CAS Number121578-12-9Molecular Weight212.534
Density0.8±0.1 g/cm3Boiling Point234.5±3.0 °C at 760 mmHg
Molecular FormulaC13D28Melting Point2ºC
MSDS/Flash Point101.7±0.0 °C

Names

Namen-tridecane-d28
SynonymMore Synonyms

(2H28)Tridecane BiologicalActivity

DescriptionTridecane-d28 is the deuterium labeled Tridecane[1]. Tridecane is a short chain aliphatic hydrocarbon containing 13 carbon atoms. Tridecane is an volatile oil component isolated from essential oil of Piper aduncum L. Tridecane is a stress compound released by the brown marmorated stink bugs stress compound[2][3].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
In VitroStable 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]. Pallavi Mohekar, et al. Influence of Winemaking Processing Steps on the Amounts of (E)-2-Decenal and Tridecane as Off-Odorants Caused by Brown Marmorated Stink Bug (Halyomorpha halys). J Agric Food Chem. 2017 Feb 1;65(4):872-878.  

[3]. Motoi Yamashita, et al. The effect of pressure on the phase transition behavior of tridecane, pentadecane, and heptadecane: a Fourier transform infrared spectroscopy study. J Chem Phys. 2011 Apr 14134(14):144503.  

Chemical & Physical Properties

Density0.8±0.1 g/cm3
Boiling Point234.5±3.0 °C at 760 mmHg
Melting Point2ºC
Molecular FormulaC13D28
Molecular Weight212.534
Flash Point101.7±0.0 °C
Exact Mass212.394852
LogP7.66
Vapour Pressure0.1±0.2 mmHg at 25°C
Index of Refraction1.426
InChIKeyIIYFAKIEWZDVMP-KRQNKTCESA-N
SMILESCCCCCCCCCCCCC

Synonyms

(H)Tridecane
Tridecane-d
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