19136-91-5

Basic information

• Product Name: PROPIONIC-2,2-D2 ACID
• Synonyms: PROPIONIC ACID (2,2-D2);PROPIONIC-2,2-D2 ACID;PROPIONIC-2,2-D2 ACID, 98 ATOM % D;propanoic acid-2,2-d2;Propionic--d2 Acid
• CAS NO: 19136-91-5
• Molecular Formula: C₃H₆O₂
• Molecular Weight: 76.09
• Mol File: 19136-91-5.mol
• Article Data: 3

Chemical Properties

• Melting Point: −24-−23 °C(lit.)
• Boiling Point: 141 °C(lit.)
• Flash Point: 125 °F
• Appearance: /
• Density: 1.020 g/mL at 25 °C
• Vapor Pressure: 4.23mmHg at 25°C
• Refractive Index: n20/D 1.386(lit.)
• CAS DataBase Reference: PROPIONIC-2,2-D2 ACID(CAS DataBase Reference)
• NIST Chemistry Reference: PROPIONIC-2,2-D2 ACID(19136-91-5)
• EPA Substance Registry System: PROPIONIC-2,2-D2 ACID(19136-91-5)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-36-45
• RIDADR: UN 3463 8/PG 2
• WGK Germany: 1
• Hazardous Substances Data: 19136-91-5(Hazardous Substances Data)

Usage

General Description

PROPIONIC-2,2-D2 ACID, also known as 2,2-D2-propionic acid, is a deuterated form of propionic acid, with two deuterium atoms replacing two hydrogen atoms in the molecule. It is a carboxylic acid that is used as a precursor in the production of various compounds, including pharmaceuticals, fragrances, and other organic chemicals. This deuterated form of propionic acid is commonly used in research and development laboratories for the synthesis of labeled compounds for use in nuclear magnetic resonance (NMR) studies and other analytical techniques. Its unique isotopic composition makes it a valuable tool for studying the behavior and interactions of propionic acid and related compounds in chemical and biological systems.

InChI:InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i2D2

Upstream product

• 3652-84-4 1,1-dideuterio-1-bromoethane 
• 124-38-9 carbon dioxide 
• 609-08-5 Diethyl methylmalonate 

Downstream Products

• 24330-31-2 2,2,3,3-²H-butane 
• 624-24-8 methyl valerate 
• 106-79-6 dimethyl sebacate 
• 106-70-7 methyl hexanoate 
• 1731-79-9 dodecanedioic acid dimethyl ester 
• 40422-14-8 2,2-dideuterio-propan-1-ol 
• 14770-51-5 propionic acid-d3 

Relevant articles and documents

ESR, Structure, and reactions of Specifically Deuterium-Labeled Pentane Cations in X-Irradiated Freon Matrices

Solutions of 1-2 mol percent of pentane, pentane-3-d2, pentane-2,4-d4, and pentane-1,5-d6 in CFCl3, CF3CCl3, and CF2ClClFCl2 have been X irradiated at 77 K.ESR spectra of the molecular ions were recorded at temperatures between 77 K and either the glass transition temperature for CF3CCl3 (140 K) and CF2ClClFCl2 (about 110 K) or the melting point for CFCl3 (162 K).It was found that the pentane molecular ions in these matrices have not only the structure of an extended chain, but also that of several gauche conformers.Their identity and proportions depend on the matrix and on the labeling.INDO calculations were made to elucidate the detailed structure of the conformers of the pentane molecular ions in these matrices.Tilting both methyl groups toward the central-CH2- leads to a significant decrease in the energy of the ion with a minimum at about 90 deg and to significant changes in hyperfine coupling constants, giving a much better agreement with experimental data.Isotope effects were discovered for the deprotonation reaction in CF2ClCFCl2 and especially for the photofragmentation in CF3CCl3.