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

✍ Scribed by Crystal D. Forester; Jason E. Ham; J. R. Wells

• Publisher: John Wiley and Sons
• Year: 2006
• Tongue: English
• Weight: 235 KB
• Volume: 38
• Category: Article
• ISSN: 0538-8066
• DOI: 10.1002/kin.20174

✦ Synopsis

Abstract

A bimolecular rate constant, k~OH + dihydromyrcenol~, of (38 ± 9) × 10^−12^ cm^3^ 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, k, of approximately 2 × 10^−18^ cm^3^ molecule^−1^ s^−1^ was determined by monitoring the decrease in ozone (O~3~) 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 + O~3~ reactions were also investigated. The positively identified dihydromyrcenol/OH and dihydromyrcenol/O~3~ reaction products were acetone, 2‐methylpropanal (OCHCH(CH~3~)~2~), 2‐methylbutanal (OCHCH(CH~3~)CH~2~CH~3~), ethanedial (glyoxal, HC(O)C(O)H), 2‐oxopropanal (methylglyoxal, CH~3~C(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/O~3~ reaction mechanisms based on previously published volatile organic compound/OH and volatile organic compound/O~3~ gas‐phase reaction mechanisms. © 2006 Wiley Periodicals, Inc.*This article is a US Government work and, as such, is in the public domain of the United States of America

Int J Chem Kinet 38: 451–463, 2006