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The hydroxyl radical reaction rate constant and products of 3,5-dimethyl-1-hexyn-3-ol.

Authors
Wells-JR
Source
Int J Chem Kinet 2004 Aug; 36(10):534-544
NIOSHTIC No.
20025479
Abstract
A bimolecular rate constant,kDHO, of (29 +/- 9) 10-12 cm3 molecule-1 s-1 was measured using the relative rate technique for the reaction of the hydroxyl radical (OH) with 3,5-dimethyl-1-hexyn-3-ol (DHO, HCCC(OH)(CH3)CH2CH(CH3)2) at (297 +/- 3) K and 1 atm total pressure. To more clearly define DHO's indoor environment degradation mechanism, the products of the DHO + OH reaction were also investigated. The positively identified DHO/OH reaction products were acetone ((CH3)2CO), 3-butyne-2-one (3B2O, HCCC(O)(CH3)), 2-methyl-propanal (2MP, H(O)CCH(CH3)2), 4-methyl-2-pentanone (MIBK, CH3C(O)CH2CH(CH3)2), ethanedial (GLY, HC(O)C(O)H), 2-oxopropanal (MGLY, CH3C(O)C(O)H), and 2,3-butanedione (23BD, CH3C(O)C(O)CH3). The yields of 3B2O and MIBK from the DHO/OH reaction were (8.4 +/- 0.3) and (26 +/- 2)%, respectively. 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 DHO/OH reaction mechanisms based on previously published volatile organic compound/OH gas-phase reaction mechanisms.
Keywords
Hydroxyl-groups; Environmental-factors; Acetones; Mass-spectrometry; Reaction-rates; Organic-compounds
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
CAS No.
67-64-1; 107-22-2; 431-03-8; 78-83-1; 108-10-1
Publication Date
20040802
Document Type
Journal Article
Email Address
rwells@cdc.gov
Fiscal Year
2004
NTIS Accession No.
NTIS Price
Issue of Publication
10
ISSN
0538-8006
NIOSH Division
HELD
Priority Area
Work Environment and Workforce: Indoor Environment
Source Name
International Journal of Chemical Kinetics
State
WV
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