42006-99-5

Basic information

• Product Name: 1-DECANOL-D2
• Synonyms: 1-DECANOL-D2
• CAS NO: 42006-99-5
• Molecular Formula: C10H20D2O
• Molecular Weight: 160.29
• Mol File: 42006-99-5.mol
• Article Data: 11

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-DECANOL-D2(CAS DataBase Reference)
• NIST Chemistry Reference: 1-DECANOL-D2(42006-99-5)
• EPA Substance Registry System: 1-DECANOL-D2(42006-99-5)

Safety Data

• Hazardous Substances Data: 42006-99-5(Hazardous Substances Data)

Usage

Type

Deuterated form of 1-decanol

Deuterium substitution

Two deuterium atoms replace hydrogen atoms in the molecule

Industrial applications

a. Solvent
b. Production of surfactants
c. Precursor in the synthesis of other chemicals

Utility in research

Useful in spectroscopy and mass spectrometry studies

Presence of deuterium

Allows for distinction and analysis of different molecules

Research and development

Used in pharmaceutical and agricultural industries

Unique properties

Provide valuable insights into the behavior and interactions of organic compounds

Isotopic labeling

Enhances the understanding of compound behavior and interactions

Upstream product

• 110-38-3 decanoic acid ethyl ester 
• 334-48-5 1-decanoic acid 
• 245748-54-3 n-decanoic acid pentafluorophenyl ester 
• 110-42-9 Methyl decanoate 
• 112-30-1 1-Decanol 

Downstream Products

• 90425-76-6 <7,7-(2)H2>-n-hexadecyne-5 
• 177654-04-5 C₁₈H₂₈⁽²⁾H₂O₃S 
• 64118-43-0 2,2-dideutero-N-hendecanoic acid 
• 177654-03-4 decan-1-ol-1,1-d2 tosylate 
• 81576-60-5 <1,1-(2)H2>-1-bromo-n-decane 

Relevant articles and documents

The structural and dynamic properties of 1-bromodecane in urea inclusion compounds investigated by solid-state 1H, 13C and 2H NMR spectroscopy

For asymmetric guest molecules in urea, the end-groups of two adjacent guest molecules may arrange in three different ways: head-head, head-tail and tail-tail. Solid-state 1H and 13C NMR spectroscopy is used to study the structural properties of 1-bromodecane in urea. It is found that the end groups of the guest molecules are randomly arranged. The dynamic characteristics of 1-bromodecane in urea inclusion compounds are probed by variable-temperature solid-state 2H NMR spectroscopy (line shapes, spin-spin relaxation: T2, spin-lattice relaxation: T1Z and T1Q) between 120 K and room temperature. The comparison between the simulation and experimental data shows that the dynamic properties of the guest molecules can be described in a quantitative way using a non-degenerate three-site jump process in the low-temperature phase and a degenerate three-site jump in the high-temperature phase, in combination with the small-angle wobbling motion. The kinetic parameters can be derived from the simulation. Copyright

Pentafluorophenyl Esters: Highly Chemoselective Ketyl Precursors for the Synthesis of α,α-Dideuterio Alcohols Using SmI2 and D2O as a Deuterium Source

We report the first highly chemoselective synthesis of α,α-dideuterio alcohols with exquisite incorporation of deuterium (>98% [D2]) using pentafluorophenyl esters as ketyl radical precursors, SmI2 as a mild reducing agent, and Dsub

Experimental and computational study of a direct O2-coupled wacker oxidation: Water dependence in the absence of Cu salts

The kinetics of the Pd[(-)-sparteine]Cl2 catalyzed oxidation of decene using oxygen as the sole oxidant have been studied in the absence of copper salts and high [Cl-]. Saturation kinetics are observed for [decene] as well as a third order dependence on [water]. A mechanism is proposed involving the dissociation of two chlorides and rate-limiting formation of a three-water hydrogen bridged network and subsequent oxypalladation as supported by computational studies.