The Hydroxyl Radical Reaction Rate Constant and Products of 3,5-Dimethyl-1-Hexyn-3-Ol

Details

• Personal Author:
  Wells JR
• Description:
  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. [Description provided by NIOSH]
• Subjects:
  Acetone Environmental Health Mass Spectrometry Occupational Health Safety
• Keywords:
  Acetones Environmental-factors Hydroxyl-groups Mass-spectrometry Organic-compounds Reaction-rates
• ISSN:
  0538-8006
• 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:
  36
• Issue:
  10
• NIOSHTIC Number:
  nn:20025479
• Citation:
  Int J Chem Kinet 2004 Aug; 36(10):534-544
• Contact Point Address:
  J. R. Wells, Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, 1095 Willowdale Road, Morgantown, WV 26505
• Email:
  rwells@cdc.gov
• CAS Registry Number:
  Acetone (CAS RN 67-64-1) ; Butanedione (CAS RN 431-03-8) ; Glyoxal (CAS RN 107-22-2) ; Isobutanol (CAS RN 78-83-1) ; Methyl isobutyl ketone (CAS RN 108-10-1)
• Federal Fiscal Year:
  2004
• NORA Priority Area:
  Work Environment and Workforce: Indoor Environment
• 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-512:9c60fe641391c1af05bd554ad08e32d71651005deef44878f042ef360f7804984bbc4b8b368b7ac3a47b0583962fb9ea9c5e4a56d13295ab1e5786b7c3cc708e
• Download URL:
  https://stacks.cdc.gov/view/cdc/196826/cdc_196826_DS1.pdf
• File Type:
  [PDF - 135.91 KB ]