2-Butoxyethanol and benzyl alcohol reactions with the nitrate radical: rate coefficients and gas-phase products

Details

• Personal Author:
  Harrison JC ; Wells JR
• Description:
  The bimolecular rate coefficients kNO3 + 2-butoxyethanol and kNO3 + benzyl alcohol were measured using the relative rate technique at (297 +/- 3) K and 1 atmosphere total pressure. Values of (2.7 +/- 0.7) and (4.0 +/- 1.0) × 10-15 cm3 molecule-1 s-1 were observed for kNO3 + 2-butoxyethanol and kNO3 + benzyl alcohol, respectively. In addition, the products of 2-butoxyethanol + NO3 and benzyl alcohol + NO3 gas-phase reactions were investigated. Derivatizing agents O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine and N, O-bis (trimethylsilyl)trifluoroacetamide and gas chromatography mass spectrometry (GC/MS) were used to identify the reaction products. For 2-butoxyethanol + NO3 reaction: hydroxyacetaldehyde, 3-hydroxypropanal, 4-hydroxybutanal, butoxyacetaldehyde, and 4-(2-oxoethoxy)butan-2-yl nitrate were the derivatized products observed. For the benzyl alcohol + NO3 reaction: benzaldehyde ((C6H5)C(=O)H) was the only derivatized product observed. Negative chemical ionization was used to identify the following nitrate products: [(2-butoxyethoxy)(oxido)amino]oxidanide and benzyl nitrate, for 2-butoxyethanol + NO3 and benzyl alcohol + NO3, respectively. The elucidation of these products was facilitated by mass spectrometry of the derivatized reaction products coupled with a plausible 2-butoxyethanol or benzyl alcohol + NO3 reaction mechanisms based on previously published volatile organic compound + NO3 gas-phase mechanisms. [Description provided by NIOSH]
• Subjects:
  Atmosphere Biochemistry Chemistry Chromatography Mass Spectrometry Occupational Health Safety
• Keywords:
  Atmospheric-pressure Biochemical-analysis Chemical-composition Chemical-properties Chemical-reactions Chromatographic-analysis Gas-chromatography Ionization Mass-spectrometry Organic-compounds Reaction-rates Volatiles

  More +
• ISSN:
  0538-8066
• Document Type:
  Text
• Genre:
  Journal Article
• Place as Subject:
  OSHA Region 3 ; West Virginia
• CIO:
  National Institute for Occupational Safety and Health (NIOSH)
• Division:
  HELD - Health Effects Laboratory Division
• Topic:
  Workplace Safety & Health
• Location:
  North America
• Volume:
  44
• Issue:
  12
• NIOSHTIC Number:
  nn:20041077
• Citation:
  Int J Chem Kinet 2012 Dec; 44(12):778-788
• Contact Point Address:
  J. R. Wells, Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, Morgantown, WV 26505
• Email:
  ozw0@cdc.gov
• CAS Registry Number:
  2-Butoxyethanol (CAS RN 111-76-2) ; Benzaldehyde (CAS RN 100-52-7) ; Benzyl alcohol (CAS RN 100-51-6)
• Federal Fiscal Year:
  2013
• NORA Priority Area:
  Healthcare and Social Assistance ; Services
• Peer Reviewed:
  True
• Source Full Name:
  International Journal of Chemical Kinetics
• Collection(s):
  National Institute for Occupational Safety and Health
• Main Document Checksum:
  urn:sha-512:ec9b7dee487e48fe01600ecf59a882e415edab9a8175d094b2a00e1086fc2d19d7045f5ed24c4fabe83999be32377c3b3b5687ce967201824598c56325ada59b
• Download URL:
  https://stacks.cdc.gov/view/cdc/193732/cdc_193732_DS1.pdf
• File Type:
  [PDF - 679.33 KB ]