86369-69-9

Basic information

• Product Name: N-OCTADECYL-1,1-D2 ALCOHOL
• Synonyms: N-OCTADECYL-1,1-D2 ALCOHOL;n-Octadecyl--d2 Alcohol
• CAS NO: 86369-69-9
• Molecular Formula: C₁₈H₃₈O
• Molecular Weight: 272.51
• Mol File: 86369-69-9.mol
• Article Data: 6

Chemical Properties

• Melting Point: 57.0-59.0 °C(Solv: acetonitrile (75-05-8))
• Appearance: /
• CAS DataBase Reference: N-OCTADECYL-1,1-D2 ALCOHOL(CAS DataBase Reference)
• NIST Chemistry Reference: N-OCTADECYL-1,1-D2 ALCOHOL(86369-69-9)
• EPA Substance Registry System: N-OCTADECYL-1,1-D2 ALCOHOL(86369-69-9)

Safety Data

• Hazardous Substances Data: 86369-69-9(Hazardous Substances Data)

Usage

Description

N-OCTADECYL-1,1-D2 ALCOHOL, with the CAS number 86369-69-9, is an isotopically labeled research compound that is utilized in various scientific studies and experiments. N-OCTADECYL-1,1-D2 ALCOHOL is characterized by its unique isotopic composition, which allows for the tracking and analysis of chemical reactions and processes.

Uses

Used in Research Applications:
N-OCTADECYL-1,1-D2 ALCOHOL is used as a research compound for its isotopically labeled nature, which enables scientists to study chemical reactions and processes with enhanced precision and accuracy. The incorporation of deuterium (D2) into the molecule provides a distinct signature that can be easily detected and monitored, making it a valuable tool in various research fields.
Used in Chemical Reaction Studies:
In the field of chemistry, N-OCTADECYL-1,1-D2 ALCOHOL is used as a reactant or a tracer in chemical reactions. Its isotopic labeling allows researchers to follow the progress of reactions, identify reaction intermediates, and determine reaction mechanisms. This can be particularly useful in the development of new chemical processes and the optimization of existing ones.
Used in Analytical Chemistry:
N-OCTADECYL-1,1-D2 ALCOHOL is employed in analytical chemistry as a standard or a reference material. Its unique isotopic signature can be used to calibrate instruments and methods, ensuring accurate and reliable measurements in various analytical techniques.
Used in Pharmaceutical Research:
In the pharmaceutical industry, N-OCTADECYL-1,1-D2 ALCOHOL can be used in the development and testing of new drugs. Its isotopic labeling can help researchers understand the metabolism, distribution, and excretion of drug candidates, as well as their interactions with biological targets.
Used in Environmental Studies:
N-OCTADECYL-1,1-D2 ALCOHOL can also be utilized in environmental research to study the fate and transport of chemicals in the environment. Its isotopic signature can provide insights into the behavior of pollutants and contaminants, helping to inform strategies for environmental protection and remediation.

Upstream product

• 112-61-8 Methyl stearate 
• 112-92-5 1-octadecanol 
• 57-11-4 stearic acid 

Downstream Products

• 125568-53-8 2,2-d2-nonadecanoic acid 

Relevant articles and documents

A Study of the Structure and Dynamics of Dimethyloctadecylsilyl-Modified Silica Using Wide-Line 2HNMR Techniques

The structure and dynamics of dimethyloctadecylsilyl-modified silica gel (C18-dilica) were studied by using solid-state 2H NMR techiques.In order to reproduce with a theoretical model the 2H line shapes that were observed for the C18-silica samples, it was necessary to assume that a variety of environments are present on the C18-silica surface and that this heterogeneity results in different details of the motion of silane groups that are bonded to different regions of the C18-silica surface. 2H spectra that were taken on the C18-silica samples at temperatures below room temperature appear to be superpositions of two line shapes, indicating that some silane groups move with a simple two-site jump moiion, along with others that move with a more complex distribution of motions.At -50 deg.C, the addition of wetting liquids can affect the 2H line shape; different liquids can have dramatically different effects on the observed 2H line shapes.Simple surface structures for C18-silica are proposed that are consistent with the NMR data observed in this study.

Structure and dynamics in alkanethiolate monolayers self-assembled on gold nanoparticles: A DSC, FT-IR, and deuterium NMR study

Gold nanoparticles, ca. 30 ? in diameter, have been derivatized with specifically deuterated (position 1 and positions 10 to 13) and perdeuterated (positions 2 to 18) octadecanethiols (C18SH). The phase behavior of the octadecanethiolate monolayers chemisorbed onto the colloidal gold surface was characterized by differential scanning calorimetry (DSC). The DSC thermograms show that the C18SH-derivatized Au nanoparticles undergo distinct phase transitions which can be associated with the reversible disordering of the alkyl chains. Despite the highly curved geometry of these Au particles, there is a remarkable degree of conformational order in the alkanethiolate chains and the thermotropic behavior of the thiol-modified gold nanoparticles is very similar to that of conventional, planar self-assembled monolayers. Both the peak maximum temperature and the enthalpy associated with the DSC transition strongly parallel those of the gel-to-liquid crystalline transition of n-diacylphosphatidylcholine lipid bilayer membranes of equivalent chain length. Restricted chain mobility due to covalent bonding of the sulfur head group to the gold surface does not affect the cooperativity of the transition in terms of the transition temperature and enthalpy. Local chain ordering and dynamics in the deuterated C18S/Au nanoparticles have been probed using variable-temperature solid-state deuterium NMR spectroscopy and transmission FT-IR spectroscopy. The temperature dependence of the symmetric CD2 stretching frequency has confirmed that the DSC-detected phase transition involves a thermally-induced change from a predominantly all-trans conformation to a chain disordered state. A comparison of the thermal behavior of d35-C18S/Au and 10, 10, 11, 11, 12, 12, 13, 13-d8-C18S/Au shows that disordering originates in the chain terminus region and propagates toward the middle of the chain as the temperature increases. Studies of 1,1-d2C18S/Au show that the disorder does not extend to the tethered sulfur headgroup. Deuterium NMR spectroscopy specifically establishes that chain melting arises from an increased frequency of gauche bonds in the alkanethiolate chains. The 2H NMR line shapes further indicate that the tethered alkanethiolate chains are undergoing rapid trans-gauche bond isomerization and axial chain rotation.

Synthesis of deuterated 5-n-alkylresorcinols

Four alternative strategies for the preparation of deuterium poly-labelled 5-n-alkylresorcinois are explored. Ring-labelled 2H 3-alkylresorcinols synthesized by acidic H/D exchange are stable under electrospray ionization MS conditio