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Gas-phase chemistry of citronellol with ozone and OH radical: rate constants and products.

Authors
Ham-JE; Proper-SP; Wells-JR
Source
Atmos Environ 2006 Feb; 40(4):726-735
NIOSHTIC No.
20029759
Abstract
A bimolecular rate constant, kOH+citronellol, of (170 +/- 43)10-12 cm3 molecule-1 s-1 was measured using the relative rate technique for the reaction of the hydroxyl radical (OH) with 3,7-dimethyl-6-octen-1-ol (citronellol) at (297 +/- 3) K and 1 atmosphere total pressure. Additionally, a bimolecular rate constant, kO3+citronellol, of (2.4 +/- 0.1)10-16 cm3 molecule-1 s-1, was measured by monitoring the decrease in ozone (O3) concentration in an excess of citronellol. To more clearly define part of citronellol's indoor environment degradation mechanism, the products of the citronellol+OH and citronellol+O3 reactions were also investigated. The positively identified citronellol/OH and citronellol/O3 reaction products were: acetone, ethanedial (glyoxal, HC(O)C(O)H), and 2-oxopropanal (methylglyoxal, CH3C(O)C(O)H). The use of derivatizing agents O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine (PFBHA) and N,O-bis(trimethylsilyl) trifluoroacetamide (BSTFA) were used to propose 6-hydroxy-4-methylhexanal as the other major citronellol/OH and citronellol/O3 reaction product. The elucidation of this other reaction product was facilitated by mass spectrometry of the derivatized reaction products coupled with plausible citronellol/OH and citronellol/O3 reaction mechanisms based on previously published volatile organic compound/OH and volatile organic compound/O3 gas-phase reaction mechanisms.
Keywords
Organic-chemicals; Organic-compounds; Environmental-factors; Gases; Chemical-reactions
Contact
Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, 1095 Willowdale Road, Morgantown, WV 26505, USA
CODEN
AENVEQ
Publication Date
20060201
Document Type
Journal Article
Fiscal Year
2006
NTIS Accession No.
NTIS Price
Issue of Publication
4
ISSN
1352-2310
NIOSH Division
HELD
Priority Area
Work Environment and Workforce: Indoor Environment
Source Name
Atmospheric Environment
State
WV; MI
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