5796-89-4

Usage

Safety Profile

An extremely explosive gas. Handle only if highly diluted by air or nitrogen.When heated to decomposition it emits toxic fumes of NOx.

InChI:InChI=1/C3H5NO5/c1-2-3(5)8-9-4(6)7/h2H2,1H3

Upstream product

• 922-63-4 ethylacrolein 
• 110-74-7 propyl methanoate 

Relevant academic research and scientific papers

Photolysis of n-Propyl Formate in the Presence of O2 and NO2: Peroxy Formyl Propyl Nitrate CH3CH2CH2OC(O)OONO2 Synthesis and Characterization

The photo-oxidation of n-propyl formate (initiated by chlorine atoms) was studied in the presence of NO2, and the products were identified. The Cl atom attack to the molecule occurs in four sites, leading to the formation of formic acid, carbon dioxide, dicarbonylic products, nitrates, peroxy propionyl nitrate (CH3CH2C(O)OONO2, PPN), and a new peroxynitrate, peroxy formyl propyl nitrate (CH3CH2CH2OC(O)OONO2, PFPN). To characterize bulk quantities of the PFPN, its synthesis was carried out by the photolysis of mixtures of CH3CH2CH2OC(O)H, NO2, Cl2, and O2. After purification, its infrared spectrum and thermal stability were determined. The main infrared absorption bands and their corresponding cross sections are 796, 1219, 1302, 1741, and 1831 cm-1 (1.16, 3.11, 0.88, 2.42, and 1.34 × 10-18 cm2 molec-1, respectively). Thermal decomposition was studied as a function of pressure from 6.0 to 1000 mbar at 298 K, and the activation energy was determined between 293 and 304 K at total pressures of 9.0 and 1000 mbar (Ea = 98 ± 3 and 110 ± 2 kJ/mol, respectively). The atmospheric thermal lifetimes were obtained from kinetic parameters.

Atmospheric Chemistry of 2-Ethyl Acrolein

The atmospheric oxidation of the unsaturated aldehyde 2-ethyl acrolein, CH2=C(C2H5)CHO, has been studied in laboratory experiments involving the reaction of ozone with 2-ethyl acrolein in the dark (with cyclohexane added to scavenge the hydroxyl radical), and the sunlight irradiation of 2-ethyl acrolein with NO in air.The major carbonyl products of the 2-ethyl acrolein reaction with ozone are formaldehyde, acetaldehyde, and the dicarbonyl ethylglyoxal, CH3CH2COCHO.Sunlight irradiation of 2-ethyl acrolein and NO led to the formation of three carbonyls (formaldehyde, acetaldehyde, and ethylglyoxal) and three peroxyacyl nitrates, (RC(O)OONO2), including PAN (R = CH3), PPN (R = C2H5, and the unsaturated compound EPAN (R = CH2=C(C2H5).Mechanisms are outlined for the reactions of ozone and of the hydroxyl radical with 2-ethyl acrolein.These mechanisms are consistent with the observed carbonyl and peroxyacyl nitrate products.Thermal decomposition, a major atmospheric removal process for peroxyacyl nitrates, has been studied for EPAN.The decomposition rate of EPAN relative to that of PAN is 0.59-0.73 at 292-294 K and 1 atm of air.Atmospheric implication of these results are discussed.