2188-31-0

Basic information

• Product Name: Acetaldehyde-13C
• Synonyms: Acetaldehyde-13C
• CAS NO: 2188-31-0
• Molecular Formula: C₂H₄O
• Molecular Weight: 44.05256
• Product Categories: Isotope Labelled Compounds, Metabolites, Miscellaneous Reagents
• Mol File: 2188-31-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 21 °C (lit.)
• Appearance: /
• Density: 0.803 g/mL at 25 °C
• Storage Temp.: -20°C
• CAS DataBase Reference: Acetaldehyde-13C(CAS DataBase Reference)
• NIST Chemistry Reference: Acetaldehyde-13C(2188-31-0)
• EPA Substance Registry System: Acetaldehyde-13C(2188-31-0)

Safety Data

• Hazardous Substances Data: 2188-31-0(Hazardous Substances Data)

Usage

Uses

Isotope labelled analogue of Acetaldehyde (A132600), a general solvent in organic and polymer chemical reactions. Acetaldehyde has also played a role in fruit and food quality, ripening and deterioration.

Upstream product

• 14742-23-5 ethanol-1-13C 
• 1520-57-6 [1-13C]acetyl chloride 

Relevant articles and documents

Photocatalytic Oxidation of Ethanol: Isotopic Labeling and Transient Reaction

Transient reaction techniques were combined with isotope labeling to study the reaction steps for the room-temperature, photocatalytic oxidation (PCO) of ethanol on TiO2.Carbon-13 labeled ethanol (CH3(13)CH2OH) was adsorbed on the catalyst and photocatalytically oxidized in the absence of gas-phase ethanol.The amounts of species remaining on the surface after PCO were determined by temperature-programmed oxidation.During PCO, only CO2 and H2O formed for low coverages of ethanol, whereas acetaldehyde also desorbed for saturation coverage.Acetaldehyde forms rapidly from ethanol oxidation during PCO.At both low and high ethanol coverages, the α-carbon is preferentially oxidized and thus (13)CO2 forms faster than (12)CO2 at short illumination times.At longer times, the rates of (13)CO2 and (12)CO2 formation are nearly identical.The difference in behavior between (13)CO2 and (12)CO2 formation suggests two parallel reactions of ethanol, which may be due to two adsorption sites on TiO2.

A straightforward implementation of in situ solution electrochemical 13C NMR spectroscopy for studying reactions on commercial electrocatalysts: Ethanol oxidation

Identifying and quantifying electrocatalytic-reaction-generated solution species, be they reaction intermediates or products, are highly desirable in terms of understanding the associated reaction mechanisms. We report herein a straightforward implementation of in situ solution electrochemical 13C NMR spectroscopy for the first time that enables in situ studies of reactions on commercial fuel-cell electrocatalysts (Pt and PtRu blacks). Using ethanol oxidation reaction (EOR) as a working example, we discovered that (1) the complete oxidation of ethanol to CO2 only took place dominantly at the very beginning of a potentiostatic chronoamperometric (CA) measurement and (2) the PtRu had a much higher activity in catalysing oxygen insertion reaction that leads to acetic acid.

Molecular Structure of s-cis- and s-trans-Acrolein Determined by Microwave Spectroscopy

The rotational spectra of highly enriched single D-, 13C-, and 18O-substituted species of acrolein have been measured and analyzed over 12-58 GHz.The complete substitution structure has been determined for the less abundant s-cis conformer from the ground-state rotational constants.In addition newly assigned μb-type transitions for all isotopic species of the more abundant s-trans-acrolein have improved the structure of this conformer.Careful measurements of the Stark effect have resulted in an accurate determination of the electric dipole moment of the s-trans conformer.A comparison of the molecular structures of the two conformers has revealed significant differences in the central C-C bonds.