Gas-phase chemistry of citronellol with ozone and OH radical: Rate constants and products
A bimolecular rate constant, k OH+citronellol, of (170±43)×10 −12 cm 3 molecule −1 s −1 was measured using the relative rate technique for the reaction of the hydroxyl radical (OH) with 3,7-dimethyl-6-octen-1-ol (citronellol) at (297±3) K and 1 atmosphere total pressure. Additionally, a bimolecular...
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| Vydáno v: | Atmospheric environment (1994) Ročník 40; číslo 4; s. 726 - 735 |
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| Hlavní autoři: | , , |
| Médium: | Journal Article |
| Jazyk: | angličtina |
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Oxford
Elsevier Ltd
01.02.2006
Elsevier Science |
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| ISSN: | 1352-2310, 1873-2844 |
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| Abstract | A bimolecular rate constant,
k
OH+citronellol, of (170±43)×10
−12
cm
3
molecule
−1
s
−1 was measured using the relative rate technique for the reaction of the hydroxyl radical (OH) with 3,7-dimethyl-6-octen-1-ol (citronellol) at (297±3)
K and 1 atmosphere total pressure. Additionally, a bimolecular rate constant,
k
O
3
+
citronellol
, of (2.4±0.1)×10
−16
cm
3
molecule
−1
s
−1, was measured by monitoring the decrease in ozone (O
3) concentration in an excess of citronellol. To more clearly define part of citronellol's indoor environment degradation mechanism, the products of the citronellol+OH and citronellol+O
3 reactions were also investigated. The positively identified citronellol/OH and citronellol/O
3 reaction products were: acetone, ethanedial (glyoxal, HC(
O)C(
O)H), and 2-oxopropanal (methylglyoxal, CH
3C(
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) were used to propose 6-hydroxy-4-methylhexanal as the other major citronellol/OH and citronellol/O
3 reaction product. The elucidation of this other reaction product was facilitated by mass spectrometry of the derivatized reaction products coupled with plausible citronellol/OH and citronellol/O
3 reaction mechanisms based on previously published volatile organic compound/OH and volatile organic compound/O
3 gas-phase reaction mechanisms. |
|---|---|
| AbstractList | A bimolecular rate constant, k sub(OH+citronellol), of (170+/-43)x10 super(- 12) cm super(3) molecule super(-1) s super(-1) was measured using the relative rate technique for the reaction of the hydroxyl radical (OH) with 3,7-dimethyl-6- octen-1-ol (citronellol) at (297+/-3) K and 1 atmosphere total pressure. Additionally, a bimolecular rate constant, k sub(O) sub(3+citronellol), of (2.4+/-0.1)x10 super(-16) cm super(3) molecule super(-1) s super(-1), was measured by monitoring the decrease in ozone (O sub(3)) concentration in an excess of citronellol. To more clearly define part of citronellol's indoor environment degradation mechanism, the products of the citronellol+OH and citronellol+O sub(3) reactions were also investigated. The positively identified citronellol/OH and citronellol/O sub(3) reaction products were: acetone, ethanedial (glyoxal, HC(O)C(O)H), and 2-oxopropanal (methylglyoxal, CH sub(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) were used to propose 6-hydroxy-4-methylhexanal as the other major citronellol/OH and citronellol/O sub(3) reaction product. The elucidation of this other reaction product was facilitated by mass spectrometry of the derivatized reaction products coupled with plausible citronellol/OH and citronellol/O sub(3) reaction mechanisms based on previously published volatile organic compound/OH and volatile organic compound/O sub(3) gas-phase reaction mechanisms. A bimolecular rate constant, k OH+citronellol, of (170±43)×10 −12 cm 3 molecule −1 s −1 was measured using the relative rate technique for the reaction of the hydroxyl radical (OH) with 3,7-dimethyl-6-octen-1-ol (citronellol) at (297±3) K and 1 atmosphere total pressure. Additionally, a bimolecular rate constant, k O 3 + citronellol , of (2.4±0.1)×10 −16 cm 3 molecule −1 s −1, was measured by monitoring the decrease in ozone (O 3) concentration in an excess of citronellol. To more clearly define part of citronellol's indoor environment degradation mechanism, the products of the citronellol+OH and citronellol+O 3 reactions were also investigated. The positively identified citronellol/OH and citronellol/O 3 reaction products were: acetone, ethanedial (glyoxal, HC( O)C( O)H), and 2-oxopropanal (methylglyoxal, CH 3C( 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) were used to propose 6-hydroxy-4-methylhexanal as the other major citronellol/OH and citronellol/O 3 reaction product. The elucidation of this other reaction product was facilitated by mass spectrometry of the derivatized reaction products coupled with plausible citronellol/OH and citronellol/O 3 reaction mechanisms based on previously published volatile organic compound/OH and volatile organic compound/O 3 gas-phase reaction mechanisms. |
| Author | Ham, Jason E. Proper, Steven P. Wells, J.R. |
| Author_xml | – sequence: 1 givenname: Jason E. surname: Ham fullname: Ham, Jason E. organization: Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, 1095 Willowdale Road, Morgantown, WV 26505, USA – sequence: 2 givenname: Steven P. surname: Proper fullname: Proper, Steven P. organization: Department of Science and Mathematics, Environmental Chemistry, Kettering University, 1700 West Third Avenue, Flint, MI 48504, USA – sequence: 3 givenname: J.R. surname: Wells fullname: Wells, J.R. email: ozw0@cdc.gov organization: Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, 1095 Willowdale Road, Morgantown, WV 26505, USA |
| BackLink | http://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=17495621$$DView record in Pascal Francis |
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| CitedBy_id | crossref_primary_10_1021_acs_est_4c14384 crossref_primary_10_1016_j_tiv_2012_11_017 crossref_primary_10_1016_j_atmosenv_2008_04_017 crossref_primary_10_1093_toxsci_kfq067 crossref_primary_10_1016_j_atmosenv_2025_121055 crossref_primary_10_1016_j_chemosphere_2010_12_036 crossref_primary_10_1016_j_cplett_2014_11_003 crossref_primary_10_1039_C4CP02627F crossref_primary_10_1080_05704928_2022_2087666 crossref_primary_10_1016_j_ijms_2014_12_005 crossref_primary_10_1039_c2em10799f crossref_primary_10_1111_ina_12103 crossref_primary_10_1016_j_atmosenv_2014_10_015 crossref_primary_10_1111_j_1600_0668_2011_00713_x crossref_primary_10_1002_kin_20789 crossref_primary_10_1007_s11356_020_08150_3 crossref_primary_10_1016_j_atmosenv_2008_11_001 crossref_primary_10_1016_j_talanta_2010_08_004 crossref_primary_10_1016_j_atmosenv_2006_06_005 crossref_primary_10_1002_kin_21776 crossref_primary_10_1016_j_atmosenv_2006_07_054 crossref_primary_10_5194_acp_10_3803_2010 crossref_primary_10_1002_kin_20509 crossref_primary_10_5194_acp_13_10203_2013 |
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| Keywords | Reaction products Oxygenated organic compounds Citronellol Kinetics 3,7-dimethyl-6-octen-1-ol Chemical analysis Pollutant behavior Reaction initiator Reaction product Alcohol Ozone Volatile organic compound Chemical reaction kinetics 3.7-dimethyl-6-octen-1-ol: Reaction products Reaction mechanism Indoor pollution Hydroxyl radicals Qualitative analysis Gaseous phase reaction Organic compounds |
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| Snippet | A bimolecular rate constant,
k
OH+citronellol, of (170±43)×10
−12
cm
3
molecule
−1
s
−1 was measured using the relative rate technique for the reaction of the... A bimolecular rate constant, k sub(OH+citronellol), of (170+/-43)x10 super(- 12) cm super(3) molecule super(-1) s super(-1) was measured using the relative... |
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| SubjectTerms | 3,7-dimethyl-6-octen-1-ol Applied sciences Atmospheric pollution Buildings. Public works Citronellol Exact sciences and technology Indoor pollution and occupational exposure Kinetics Oxygenated organic compounds Pollution Pollution indoor buildings Reaction products |
| Title | Gas-phase chemistry of citronellol with ozone and OH radical: Rate constants and products |
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