Name: n-Octadecane-[d38]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-012029

CAS: 16416-31-2

Molecular Formula: C18D38

Molecular Weight: 292.73

Chemical Structure

Synonyms	n-Octadecane-d38
IUPAC Name	1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-octatriacontadeuteriooctadecane
Related CAS	593-45-3 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Canonical SMILES	CCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2
InChI Key	RZJRJXONCZWCBN-UCLFVKSLSA-N
Boiling Point	316.3°C at 760 mmHg
Purity	98% atom D
Density	0.898 g/cm3
Storage	Store at -20°C

n-Octadecane-[d38] is a deuterated alkane used primarily as a stable isotope in various scientific applications. Here are some key applications of n-Octadecane-[d38]:

NMR Spectroscopy: n-Octadecane-[d38] is employed in nuclear magnetic resonance (NMR) spectroscopy as a standard or reference compound due to its deuterated nature. Its use as a chemical shift reference point helps in studying the structure and dynamics of complex molecules. This application is crucial in identifying molecular conformations and understanding molecular interactions in solution.

Calorimetry Studies: In calorimetry, n-Octadecane-[d38] serves as a model compound for phase change materials (PCMs) in thermal analysis. It exhibits a well-defined melting and crystallization behavior, making it ideal for studying heat storage and transfer properties. Such studies are essential for optimizing PCMs in applications like thermal energy storage systems.

Material Science: n-Octadecane-[d38] is used in material science to study the diffusion and mobility of molecules in polymer matrices. By incorporating this deuterated compound, researchers can track molecular movement within complex materials using techniques like neutron scattering. This information is vital for designing advanced materials with tailored properties.

Environmental Science: In environmental research, n-Octadecane-[d38] acts as a tracer to study hydrocarbon degradation and dispersion in ecological systems. Its stable isotope signature allows scientists to investigate the fate and transport of hydrocarbons in soil and water environments. This application assists in monitoring pollution and developing remediation strategies.