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

Authors
Wells-JR
Source
Environ Sci Technol 2005 Sep; 39(18):6937-6943
NIOSHTIC No.
20028550
Abstract
A bimolecular rate constant, kOH+alpha-terpineol, of (1.9 +/- 0.5) x 10(-10) cm3 molecule(-1) s(-1) was measured using gas chromatography/mass spectrometry and the relative rate technique for the reaction of the hydroxyl radical (OH) with alpha-terpineol (1-methyl-4-isopropyl-1-cyclohexen-8-ol) at (297 +/- 3) K and 1 atm total pressure. Additionally, a bimolecular rate constant, kO3+alpha-terpineol, of (3.0 +/- 0.2) x 10(-16) cm3 molecule(-1) s(-1) was measured by monitoring the first order decrease in ozone concentration as a function of excess alpha-terpineol. To better understand alpha-terpineol's gas-phase transformation in the indoor environment, the products of the alpha-terpineol + OH and alpha-terpineol + 03 reactions were also investigated. The positively identified alpha-terpineol/OH reaction products were acetone, ethanedial (glyoxal, HC(=O)C(=O)H), and 2-oxopropanal (methyl glyoxal, CH3C(=O)C(=O)H). The positively identified alpha-terpineol/O3 reaction product was 2-oxopropanal (methyl glyoxal, CH3C(=O)C(=O)H). The use of derivatizing agents O-(2,3,4,5,6-pentalfluorobenzyl)hydroxylamine (PFBHA) and N,O-bis(trimethylsilyl)trifluoroacetamide (BSTFA) clearly indicated that several other reaction products were formed. The elucidation of these other reaction products was facilitated by mass spectrometry of the derivatized reaction products coupled with plausible alpha-terpineol/OH and alpha-terpineol/O3 reaction mechanisms based on previously published volatile organic compound/ OH and volatile organic compound/O3 gas-phase reaction mechanisms.
Keywords
Gas-chromatography; Gases; Mass-spectrometry; Environmental-factors; Gas-sampling; Organic-compounds
Contact
Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, 1095 Willowdale Road, Morgantown, West Virginia 26505, USA
CODEN
ESTHAG
Publication Date
20050915
Document Type
Journal Article
Email Address
ozw0@cdc.gov
Fiscal Year
2005
NTIS Accession No.
NTIS Price
Issue of Publication
18
ISSN
0013-936X
NIOSH Division
HELD
Priority Area
Research Tools and Approaches: Exposure Assessment Methods
Source Name
Environmental Science and Technology
State
WV
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