58161-11-8

Basic information

• Product Name: 1,2-PROPANEDIOL-(OD)2
• Synonyms: 1,2-PROPANE(DIOL-D2);1,2-PROPANEDIOL-(OD)2;1,2-PROPANE(DIOL-D2), 98 ATOM % D;propylene glycol-(od)2;1,2-PROPANEDIOL, [DIOL-D2]
• CAS NO: 58161-11-8
• Molecular Formula: C₃H₈O₂
• Molecular Weight: 78.11
• Mol File: 58161-11-8.mol
• Article Data: 5

Chemical Properties

• Melting Point: −60 °C(lit.)
• Boiling Point: 187 °C(lit.)
• Flash Point: 225 °F
• Appearance: /
• Density: 1.063 g/mL at 25 °C
• CAS DataBase Reference: 1,2-PROPANEDIOL-(OD)2(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-PROPANEDIOL-(OD)2(58161-11-8)
• EPA Substance Registry System: 1,2-PROPANEDIOL-(OD)2(58161-11-8)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 58161-11-8(Hazardous Substances Data)

Usage

Description

1,2-Propanediol-(OD)2, also known as (±)-1,2-Propanediol-(OD)2, is an isotopically labeled research compound with the CAS number 58161-11-8. It is a chemical derivative of glycerol, a naturally occurring polyol compound found in various organisms and widely used in various industries.

Uses

Used in Research Applications:
1,2-Propanediol-(OD)2 is used as an isotopically labeled research compound for studying metabolic pathways, enzyme mechanisms, and other biochemical processes. Its unique isotopic labeling allows researchers to track and analyze the compound's behavior in biological systems, providing valuable insights into its interactions and effects.
Used in Pharmaceutical Industry:
1,2-Propanediol-(OD)2 is used as an intermediate in the synthesis of pharmaceutical compounds, particularly those requiring isotopically labeled molecules for research or diagnostic purposes. Its unique properties make it a valuable tool in drug development and discovery.
Used in Cosmetics Industry:
1,2-Propanediol-(OD)2 can be used as a component in the formulation of cosmetics and personal care products, where its isotopically labeled nature may provide benefits in terms of product efficacy, safety, or stability. Its use in this industry is primarily for research and development purposes.
Used in Food Industry:
1,2-Propanediol-(OD)2 may be used in the food industry for research purposes, such as studying the effects of specific compounds on food safety, quality, or shelf life. Its isotopically labeled nature can provide valuable information on the compound's behavior in food systems.

Upstream product

• 57-55-6 propylene glycol 
• 75-56-9 methyloxirane 
• 108-32-7 1,2-propylene cyclic carbonate 

Downstream Products

• 2916-28-1 2-ethyl-2,4-dimethyl-[1,3]dioxolane 
• 16873-17-9 deuterium 

Relevant articles and documents

The Unimolecular Chemistry of +.: a Rationale in Terms of Hydrogen-bridged Radical Cations

By combining results from a variety of mass spectrometric techniques (metastable ion, collisional activation, collision-induced dissociative ionization, neutralization-reionization spectrometry and appearance energy measurements) and the classical method of isotopic labelling, a unified mechanism is proposed for the complex unimolecular chemistry of ionized 1,2-propanediol.The key intermediates involved are the stable hydrogen-bridged radical cations +., which were generated independently from +. (loss of C2H4) and +. (loss of CH2O), +. and the related ion-dipole complex +..The latter species serves as the precursor for the loss of CH3. and in this reaction the same non-ergodic behaviour is observed as in the loss of CH3. from the ionized enol of acetone.

TRANSITION METAL ISONITRILE CATALYSTS

The present disclosure relates to new transition metal isonitrile compounds, processes for the production of the compounds and the use of the compounds as catalysts. The disclosure also relates to the use of the metal isonitrile compounds as catalysts for hydrogenation and transfer hydrogenation of compounds containing one or more carbon-oxygen, and/or carbon-nitrogen and/or carbon-carbon double bonds.

Enantiomeric Interactions and Reaction Rates: Ketalization of (S)- and (RS)-1,2-Propanediols

Aliphatic ketones, e.g., butanone, are converted nearly quantitatively to the corresponding dioxolanes (ketals) in neat (S)- or (RS)-1,2-propanediol containing dichloroacetic acid.The reactions follow the pseudo-first-order law at a given acid concentration, are inhibited by water, and proceed approximately twofold faster in (RS)-diol-O,O-d2 than in undeuterated diol.No difference in rates greater than 1percent could be detected between (S)- and (RS)-diols at identical temperatures, acid concentrations, and water concentrations.Thus, for a chiral diol molecule and the activated complex, free-energy differences are virtually the same in (S)- and (RS)-diols as solvents.Differences in interactions among identical and enantiomeric molecules, if any, are evidently matched by differences in the activated complexes.