64118-36-1

Basic information

• Product Name: Octanoic-2,2-d2 acid
• Synonyms: a-Dideuterooctanoic acid
• CAS NO: 64118-36-1
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 146.22
• Mol File: 64118-36-1.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Octanoic-2,2-d2 acid(CAS DataBase Reference)
• NIST Chemistry Reference: Octanoic-2,2-d2 acid(64118-36-1)
• EPA Substance Registry System: Octanoic-2,2-d2 acid(64118-36-1)

Safety Data

• Hazardous Substances Data: 64118-36-1(Hazardous Substances Data)

Usage

Uses

Octanoic-2,2-d2 Acid (CAS# 64118-36-1) is a useful isotopically labeled research compound.

Upstream product

• 5398-10-7 diethyl 2-hexylmalonate 
• 124-07-2 Octanoic acid 
• 111-25-1 1-bromo-hexane 
• 1186-52-3 tetradeuterioacetic acid 

Downstream Products

• 714265-62-0 C₁₅H₂₂⁽²⁾H₂O₃S 
• 86412-13-7 4,4'-bis-(<2,2-(2)H2>octyloxy)azoxybenzene 

Relevant articles and documents

Dynamic properties of dioctanoyl peroxide guest molecules constrained within the urea tunnel structure: A combined incoherent quasielastic neutron scattering and solid state 2H nuclear magnetic resonance investigation

The dynamic properties of dioctanoyl peroxide guest molecules within the urea host tunnel structure in the dioctanoyl peroxide/urea inclusion compound have been investigated by incoherent quasielastic neutron scattering (IQNS) and solid state 2H nuclear magnetic resonance (NMR) techniques. The IQNS investigations were carried out on samples of urea inclusion compounds containing perdeuterated urea to ensure that the incoherent scattering is dominated by the dioctanoyl peroxide guest molecules. Using semioriented polycrystalline samples, translational motions of the guest molecules along the tunnel were investigated separately from reorientational motions of the guest molecules about the tunnel axis. The 2H NMR experiments used dioctanoyl peroxide deuterated selectively in both the α CD2 groups and urea with natural isotopic abundance. The dynamic models that have been found to describe the translational and reorientational motions of the guest molecules from the IQNS and 2H NMR data are discussed in detail. The reorientational dynamics of the guest molecules about the tunnel axis can be described by a model of uniaxial rotational diffusion in a twofold potential, and the translations of the guest molecules along the tunnels can be interpreted by a model of translational jumps between sites with unequal probabilities of occupation. These models differ markedly from those found previously to describe the dynamic properties of alkane guest molecules within the urea tunnel structure.

The Synthesis of Specifically and Selectively Deuteriated 4,4'-Bisalkoxyazoxybenzene Derivatives

In connection with deuterium n.m.r. studies of molecular motion in liquid crystals we have developed a number of methods for the synthesis of selectively deuteriated 4,4'-bisalkoxyazoxybenzenes.This paper is concerned with (i) the labelling of specific methylene segments of the alkoxy-chains, (ii) the labelling of the aromatic nucleus, and (iii) the selective enrichment of the deuterium content of one alkoxy-chain relative to the other.Our studies of the n.m.r. spectra of these liquid crystals have shown that there is not (as has sometimes been supposed) a monotonic decrease in C-D quadrupole splitting in passing from the oxygen to the CD3 end of the alkoxy-chain.In -PAA (p-azoxyanisole) we have also shown that the smaller splitting is associated with the CD3O group nearest to the NO end of azoxy-group.Whereas the photorearrangement of azoxy-compounds is normally regiospecific, the photorearrangement of PAA selectively deuteriated in one methoxy-group is unusual in that it leads to isotopically scrambled products.