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-Ionone reactions with ozone and OH radical: rate constants and gas-phase products.

Authors
Forester-CD; Ham-JE; Wells-JR
Source
Atmos Environ 2007 Dec; 41(38):8758-8771
NIOSHTIC No.
20032959
Abstract
The bimolecular rate constants, kOH+-ionone (11830)10-12 cm3 molecule-1 s-1 and kO3+-ionone, (0.190.05)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 (-ionone) at 2973 K and 1 atm total pressure. To more clearly define part of -ionone's indoor environment degradation mechanism, the products of the -ionone+OH and -ionone+O3 reactions were also investigated. The identified -ionone+OH reaction products were: glyoxal (ethanedial, HC(=O)C(=O)H), and methylglyoxal (2-oxopropanal, CH3C(=O)C(=O)H) and the identified -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 -ionone+OH and -ionone+O3 reaction product. The elucidation of this other reaction product was facilitated by mass spectrometry of the derivatized reaction products coupled with plausible -ionone+OH and -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 -ionone+OH reaction are proposed to be the result of cyclization through a radical intermediate.
Keywords
Statistical-analysis; Chemical-analysis; Chemical-composition; Organic-chemicals; Gas-indicators
Contact
J. Raymond Wells, Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, 1095 Willowdale Road, Morgantown, WV 26505
CODEN
AENVEQ
CAS No.
10028-15-6
Publication Date
20071201
Document Type
Journal Article
Email Address
ozw0@cdc.gov
Fiscal Year
2008
NTIS Accession No.
NTIS Price
Issue of Publication
38
ISSN
1352-2310
NIOSH Division
HELD
Priority Area
Services
Source Name
Atmospheric Environment
State
WV
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