17217-83-3

Basic information

• Product Name: ACETIC-18O 2 ACID
• Synonyms: ACETIC-18O 2 ACID;ACETIC-18O2 ACID, 95 ATOM % 18O;acetic acid-18o2
• CAS NO: 17217-83-3
• Molecular Formula: C₂H₄O₂
• Molecular Weight: 64.05
• Product Categories: AChemical Synthesis;Alphabetical Listings;Organic Acids;Stable Isotopes;Synthetic Reagents
• Mol File: 17217-83-3.mol
• Article Data: 5

Chemical Properties

• Melting Point: 16.2 °C(lit.)
• Boiling Point: 117-118 °C(lit.)
• Flash Point: 104 °F
• Appearance: /
• Density: 1.116 g/mL at 25 °C
• Refractive Index: n20/D 1.3715(lit.)
• CAS DataBase Reference: ACETIC-18O 2 ACID(CAS DataBase Reference)
• NIST Chemistry Reference: ACETIC-18O 2 ACID(17217-83-3)
• EPA Substance Registry System: ACETIC-18O 2 ACID(17217-83-3)

Safety Data

• Hazard Codes: C
• Statements: 10-35
• Safety Statements: 16-26-36/37/39-45
• RIDADR: UN 2789 8/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 17217-83-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i3+2,4+2

Upstream product

• 74-84-0 ethane 
• 201230-82-2 carbon monoxide 
• 127-17-3 2-oxo-propionic acid 
• 802294-64-0 propionic acid 
• 1123-49-5 3,5-dimethyl-4-nitroisoxazole 
• 64-19-7 acetic acid 
• 14797-71-8 ¹⁸O-labeled water 
• 75-36-5 acetyl chloride 

Downstream Products

• 1244546-93-7 2-[(tert-butylcarbamoyl-p-tolylmethyl)methylamino]ethylacetate-18O₂ 

Relevant articles and documents

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Highly efficient visible-light photocatalytic ethane oxidation into ethyl hydroperoxide as a radical reservoir

Photocatalytic ethane conversion into value-added chemicals is a great challenge especially under visible light irradiation. The production of ethyl hydroperoxide (CH3CH2OOH), which is a promising radical reservoir for regulating the oxidative stress in cells, is even more challenging due to its facile decomposition. Here, we demonstrated a design of a highly efficient visible-light-responsive photocatalyst, Au/WO3, for ethane oxidation into CH3CH2OOH, achieving an impressive yield of 1887 μmol gcat?1in two hours under visible light irradiation at room temperature for the first time. Furthermore, thermal energy was introduced into the photocatalytic system to increase the driving force for ethane oxidation, enhancing CH3CH2OOH production by six times to 11?233 μmol gcat?1at 100 °C and achieving a significant apparent quantum efficiency of 17.9% at 450 nm. In addition, trapping active species and isotope-labeling reactants revealed the reaction pathway. These findings pave the way for scalable ethane conversion into CH3CH2OOH as a potential anticancer drug.

An unexplored O2-involved pathway for the decarboxylation of saturated carboxylic acids by TiO2 photocatalysis: An isotopic probe study

The aerobic decarboxylation of saturated carboxylic acids (from C 2 to C5) in water by TiO2 photocatalysis was systematically investigated in this work. It was found that the split of C 1-C2 bond of the acids to release CO2 proceeds sequentially (that is, a C5 acid sequentially forms C4 products, then C3 and so forth). As a model reaction, the decarboxylation of propionic acid to produce acetic acid was tracked by using isotopic-labeled H218O. As much as ≈42% of oxygen atoms of the produced acetic acids were from dioxygen (16O2). Through diffuse reflectance FTIR measurements (DRIFTS), we confirmed that an intermediate pyruvic acid was generated prior to the cut-off of the initial carboxyl group; this intermediate was evidenced by the appearance of an absorption peak at 1772 cm-1 (attributed to C=O stretch of α-keto group of pyruvic acid) and the shift of this peak to 1726 cm -1 when H216O was replaced by H 218O. Consequently, pyruvic acid was chosen as another model molecule to observe how its decarboxylation occurs in H2 16O under an atmosphere of 18O2. With the α-keto oxygen of pyruvic acid preserved in the carboxyl group of acetic acid, ≈24% new oxygen atoms of the produced acetic acid were from molecular oxygen at near 100% conversion of pyruvic acid. The other ≈76% oxygen atoms were provided by H2O through hole/OH radical oxidation. In the presence of conduction band electrons, O2 can independently accomplish such C1-C2 bond cleavage of pyruvic acid to generate acetic acid with ≈100% selectivity, as confirmed by an electrochemical experiment carried out in the dark. More importantly, the ratio of O2 participation in decarboxylation increased along with the increase of pyruvic acid conversion, indicating the differences between non-substituted acids and α-keto acids. This also suggests that the O 2-dependent decarboxylation competes with hole/OH-radical-promoted decarboxylation and depends on TiO2 surface defects at which Ti 4c sites are available for the simultaneous coordination of substrates and O2. Acid aerobics! An O2-involved pathway for the decarboxylation of saturated carboxylic acids by TiO2 photocatalysis is clarified, and has been found to be composed of two major tandem steps. An oxygen atom of O2 is incorporated into the product acid in the second step (see scheme).

The peroxy acid dioxirane equilibrium: Base-promoted exchange of peroxy acid oxygens [24]

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