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ß-Ionone reactions with ozone and OH radical: rate constants and gas-phase products.
Forester-CD; Ham-JE; Wells-JR
Atmos Environ 2007 Dec; 41(38):8758-8771
The bimolecular rate constants, kOH+beta-ionone (118+/-30)×10-12 cm3 molecule-1 s-1 and kO3+beta-ionone, (0.19+/-0.05)×10-16 cm3 molecule-1 s-1, were measured using the relative rate technique for the reaction of the hydroxyl radical (OH) and ozone (O3) with 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (beta-ionone) at 297+/-3 K and 1 atm total pressure. To more clearly define part of beta-ionone's indoor environment degradation mechanism, the products of the beta-ionone+OH and beta-ionone+O3 reactions were also investigated. The identified beta-ionone+OH reaction products were: glyoxal (ethanedial, HC(=O)C(=O)H), and methylglyoxal (2-oxopropanal, CH3C(=O)C(=O)H) and the identified beta-ionone+O3 reaction product was 2-oxopropanal. The derivatizing agents O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine (PFBHA) and N,O-bis(trimethylsilyl)trifluoroacetamide (BSTFA) were used to propose 2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde as the other major beta-ionone+OH and beta-ionone+O3 reaction product. The elucidation of this other reaction product was facilitated by mass spectrometry of the derivatized reaction products coupled with plausible beta-ionone+OH and beta-ionone+O3 reaction mechanisms based on previously published volatile organic compound+OH and volatile organic compound+O3 gas-phase reaction mechanisms. The additional gas-phase products observed from the beta-ionone+OH reaction are proposed to be the result of cyclization through a radical intermediate.
Statistical-analysis; Chemical-analysis; Chemical-composition; Organic-chemicals; Gas-indicators
J. Raymond Wells, Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, 1095 Willowdale Road, Morgantown, WV 26505
Issue of Publication
Page last reviewed: March 11, 2019
Content source: National Institute for Occupational Safety and Health Education and Information Division