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

Authors
Forester-CD; Ham-JE; Wells-JR
Source
Int J Chem Kinet 2006 Jul; 38(7):451-463
NIOSHTIC No.
20030451
Abstract
A bimolecular rate constant, kOH + dihydromyrcenol of (38 +/- 9) 10-12 cm3 molecule-1 s-1 was measured using the relative rate technique for the reaction of the hydroxyl radical (OH) with 2,6-dimethyl-7-octen-2-ol (dihydromyrcenol,) at 297 +/- 3 K and 1 atm total pressure. Additionally, an upper limit of the bimolecular rate constant, kO3 + dihydromyrcenol, of approximately 2 10-18 cm3 molecule-1 s-1 was determined by monitoring the decrease in ozone (O3) concentration in an excess of dihydromyrcenol. To more clearly define part of dihydromyrcenol's indoor environment degradation mechanism, the products of the dihydromyrcenol + OH and dihydromyrcenol + O3 reactions were also investigated. The positively identified dihydromyrcenol/OH and dihydromyrcenol/O3 reaction products were acetone, 2-methylpropanal (OCHCH(CH3)2), 2-methylbutanal (OCHCH(CH3)CH2CH3), ethanedial (glyoxal, HC(O)C(O)H), 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) 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 dihydromyrcenol/OH and dihydromyrcenol/O3 reaction mechanisms based on previously published volatile organic compound/OH and volatile organic compound/O3 gas-phase reaction mechanisms.
Keywords
Gases; Environmental-factors; Mass-spectrometry; Organic-compounds; Organic-chemicals; Chemical-reactions
Contact
J. R. Wells, Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health,1095 Willowdale Road, Morgantown, WV 26505
CODEN
IJCKBO
Publication Date
20060701
Document Type
Journal Article
Email Address
ozw0@cdc.gov
Fiscal Year
2006
NTIS Accession No.
NTIS Price
Issue of Publication
7
ISSN
0538-8066
NIOSH Division
HELD
Priority Area
Work Environment and Workforce: Indoor Environment
Source Name
International Journal of Chemical Kinetics
State
WV
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