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Rate constants for the gas-phase reactions of ozone and nitrate radicals with the sesquiterpenes: valencene and farnesol.

Authors
Ham-JE
Source
Int J Chem Kinet 2013 Aug; 45(8):508-514
NIOSHTIC No.
20042893
Abstract
Sesquiterpenes are constituents of a variety of essential oils that are used in flavorings, perfumes, personal care, and cleaning products. Two sesquiterpenes that are commonly used as indoor fragrances are valencene and farnesol. Knowing the reaction rate constants of these chemicals with ozone (O3) and nitrate radical (NO3&bull) is an important factor in determining their fate indoors. In this study, the bimolecular rate constants of kO3+valencene (0.35+/-0.9) 10 -16, kO3+farnesol (21+/-5.2) 10 -16, kNO3&bull+valencene (7.9+/-2.0) 10 -12, and kNO3&bull+farnesol (44+/-11) 10-12 cm3 molecule-1 s-1 were measured using the relative rate technique at 297 +/- 3 K and 1 atm total pressure. Using the rate constants reported here and measured/modeled indoor concentrations of O3 and NO3&bull (20 ppb and 1 ppt, respectively), pseudo-first-order-rate lifetimes k'O3+valencene (0.06), k'O3+farnesol (3.8), k'NO3+valencene (0.7), and k'NO3+farnesol (3.9)h-1 were determined.
Keywords
Oils; Food-additives; Cleaning-compounds; Indoor-environmental-quality; Aerosol-dispensers; Aerosols; Molecular-structure; Models; Odorizers; Chemical-composition; Chemical-properties; Chemical-reactions
Contact
Jason Ham, Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, Morgantown, WV 26505
CODEN
IJCKBO
Publication Date
20130801
Document Type
Journal Article
Email Address
bvo2@cdc.gov
Fiscal Year
2013
NTIS Accession No.
NTIS Price
Identifying No.
B20130801
Issue of Publication
8
ISSN
0538-8066
NIOSH Division
HELD
Priority Area
Healthcare and Social Assistance; Services
Source Name
International Journal of Chemical Kinetics
State
WV
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