22739-76-0

Basic information

• Product Name: 2-PROPANOL-D8
• Synonyms: 2-PROPANOL-D8;2-PROPANOLE-D8;2-PROPYL ALCOHOL D8;IPA-D8;ISOPROPANOL-D8;ISOPROPYL ALCOHOL-D8;(O,1,1,1,2,3,3,3-2H8)propan-2-ol;Isopropanol-d8, 99+ atom % D, for NMR
• CAS NO: 22739-76-0
• Molecular Formula: C₃H₈O
• Molecular Weight: 68.14
• EINECS: 245-189-2
• Mol File: 22739-76-0.mol
• Article Data: 5

Chemical Properties

• Melting Point: -89.5°C
• Boiling Point: 82 °C(lit.)
• Flash Point: 75 °F
• Appearance: Clear colorless/Liquid
• Density: 0.890 g/mL at 25 °C(lit.)
• Vapor Pressure: 81.3mmHg at 25°C
• Refractive Index: n20/D 1.3728(lit.)
• Storage Temp.: Flammables area
• Explosive Limit: 2-12.7%(V)
• Water Solubility: Completely soluble in water.
• Stability: Stable. Highly flammable. Incompatible with acids, strong oxidizing agents, acid anhydrides, halogens, aluminium.
• BRN: 1816231
• CAS DataBase Reference: 2-PROPANOL-D8(CAS DataBase Reference)
• NIST Chemistry Reference: 2-PROPANOL-D8(22739-76-0)
• EPA Substance Registry System: 2-PROPANOL-D8(22739-76-0)

Safety Data

• Hazard Codes: F,Xi
• Statements: 11-67-36
• Safety Statements: 7-16-26-24/25-2017/7/16
• RIDADR: UN 1219 3/PG 2
• WGK Germany: 3
• F: 3-10
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 22739-76-0(Hazardous Substances Data)

Usage

Chemical Properties

colourless liquid

Uses

2-Propanol-d{8} is used as an intermediate in chemical research and in pharmaceutics.

General Description

2-Propanol-d8 (Isopropanol-d8) is a deuterated derivative of isopropanol. Generation and decay of correlated radical pairs (SCRP) during the reduction of acetone(D6) in 2-propanol(D8) have been studied by Fourier transform-electron paramagnetic resonance (FT-EPR) spectroscopy. It participates as solvent during the evaluation of triplet decay constants, triplet lifetime and photoreduction rate constants of benzophenone.

InChI:InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3,3D,4D

Upstream product

• 666-52-4 [⁽²⁾H₆]acetone 
• 67-63-0 isopropyl alcohol 
• 3979-51-9 Isopropanol-d1 

Downstream Products

• 781645-12-3 fac-[Ru((R)-2,2'-bis(diphenylphosphino)-1,1'-binaphthalene)(H)(i-PrOH-d8)3]BF₄ 
• 781645-18-9 fac-[Ru((R)-Tol-BINAP)(H)(i-PrOH-d8)3]BF₄ 
• 666-52-4 [⁽²⁾H₆]acetone 
• 39091-63-9 2-bromo-[1,1,1,2,3,3,3-²H₇]-propane 
• 5405-95-8 4,4'-dimethoxydibenzyl ether 
• 115976-33-5 1-phenyl (O,1-⁽²⁾H₂)ethanol 
• 1384069-92-4 C₁₃H₁₃⁽²⁾HO₂ 
• 3580-38-9 2-Benzoylcyclohexanone 
• 57444-81-2 potassium deuteroformate 
• 1197874-32-0 C₁₈H₁₇⁽²⁾H₇O₂ 
• 1171248-83-1 [Rh(1,2-bis[(2-methoxyphenyl)(phenylphosphino)]ethane)2(i-PrOH-d8)2]BF₄ 

Relevant articles and documents

DEUTERIUM-SUBSTITUTED OXADIAZOLES

Described are deuterated modulators of S1P1 receptors, pharmaceutical compositions thereof, and methods of use thereof.

Simple and efficient catalytic reaction for the selective deuteration of alcohols

A highly efficient system for the catalytic deuteration of α and β CH bonds of primary and secondary alcohols has been developed. The deuterium source is D2O. Together with the low catalyst loadings and the simple experimental setup, the reaction has direct application to the synthesis of bioactive isotopologues and the direct synthesis of fully deuterated substrates, such as ethanol-d6. The current system represents a significant advance in practicality for homogeneous metal catalyzed systems that carry out H/D exchange in organic substrates with water.

Iridium-catalyzed H/D exchange into organic compounds in water

The air-stable complex Cp*(PMe3)IrCl2 efficiently catalyzes the exchange of deuterium from D2O into both activated and unactivated C-H bonds of organic molecules without added acid or stabilizers. Selectivity is observed in many cases, with activation of primary C-H bonds occurring preferentially. A number of new stoichiometric transformations involving the iridiym catalyst precursor are also presented, including an ozidation-decarbonylation reaction with primary alcohols. Copyright