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Geraniol (2,6-dimethyl-2,6-octadien-8-ol) reactions with ozone and OH radical: rate constants and gas-phase products.

Authors
Forester-CD; Ham-JE; Wells-JR
Source
Atmos Environ 2007 Feb; 41(6):1188-1199
NIOSHTIC No.
20031403
Abstract
The bimolecular rate constants, kOH+geraniol, (231+/-58)10-12 cm3 molecule-1 s-1 and kO3+geraniol, (9.3+/-2.3)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 2,6-dimethyl-2,6-octadien-8-ol (geraniol) at (297+/-3) K and 1 atmosphere total pressure. To more clearly define part of geraniol's indoor environment degradation mechanism, the products of the geraniol+OH and geraniol+O3 reactions were also investigated. The identified geraniol+OH and geraniol+O3 reaction products were: acetone, hydroxyacetaldehyde (glycolaldehyde, HC(O)CH2OH), 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 4-oxopentanal as the other major geraniol+OH and geraniol+O3 reaction product. The elucidation of this other reaction product was facilitated by mass spectrometry of the derivatized reaction products coupled with plausible geraniol+OH and geraniol+O3 reaction mechanisms based on previously published volatile organic compound+OH and volatile organic compound+O3 gas-phase reaction mechanisms.
Keywords
Organic-compounds; Atmosphere-analyzers; Atmospheric-pressure; Environmental-factors; Mass-spectrometry; Gases
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
20070201
Document Type
Journal Article
Email Address
ozw0@cdc.gov
Fiscal Year
2007
NTIS Accession No.
NTIS Price
Issue of Publication
6
ISSN
1352-2310
NIOSH Division
HELD
Source Name
Atmospheric Environment
State
WV
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