Prediction of fragrance headspace concentrations from physicochemical properties

Details

• Personal Author:
  Kasting GB ; Saiyasombati P
• Description:
  Fragrance composition on and above the skin evolves continuously after topical application. Characterization of this process is valuable both for technical understanding of the perfume performance and for risk assessment of problematic ingredients. This report describes the application of a previously developed one-compartment, first-order kinetic model for disposition of fragrance ingredients on skin to analysis of recently reported headspace compositions associated with the application of five fine fragrance compositions to the human volar forearm. The model, with no adjustment and no ingredient interactions, was able to account for an average of 65 percent (range: 32-76 percent) of the variance associated with measured headspace concentrations of the various components 1 h post-application. Significant negative departures from the model predictions were observed for the top notes limonene, benzyl acetate and ethyl acetoacetate, all of which evaporated more slowly than predicted. Interactions with the fixatives are implicated. Positive deviations were observed for a number of the less volatile ingredients including galaxolide, bacdanol and polysantol. Possibilities for extending the model to include ingredient interactions by means of thermodynamic activity calculations are discussed. [Description provided by NIOSH]
• Subjects:
  Chemistry Occupational Health Safety Skin Skin Absorption
• Keywords:
  Chemical-kinetics Chemical-properties Humans Models Physiological-chemistry Skin-absorption Skin-tests Thermodynamics
• ISSN:
  0272-2666
• Document Type:
  Text
• Funding:
  Grant
• Genre:
  Journal Article
• Place as Subject:
  Ohio ; OSHA Region 5
• CIO:
  National Institute for Occupational Safety and Health (NIOSH)
• Topic:
  Workplace Safety & Health
• Location:
  North America
• Pages in Document:
  38-47
• Volume:
  29
• Issue:
  5
• NIOSHTIC Number:
  nn:20038236
• Citation:
  Perfum Flavor 2004 May; 29(5):38-47
• Contact Point Address:
  Gerald B. Kasting, The University of Cincinnati Medical Center, P.O. Box 670004, Cincinnati, OH 45267-0004
• Email:
  Gerald.Kasting@uc.edu
• CAS Registry Number:
  Ethyl acetoacetate (CAS RN 141-97-9)
• Federal Fiscal Year:
  2004
• NORA Priority Area:
  Research Tools and Approaches: Exposure Assessment Methods
• Performing Organization:
  University of Cincinnati
• Peer Reviewed:
  False
• Start Date:
  20020901
• Source Full Name:
  Perfumer & Flavorist
• End Date:
  20130731
• Collection(s):
  National Institute for Occupational Safety and Health
• Main Document Checksum:
  urn:sha-512:52760f6ffa41242df57f7d0716aae424528d7e0747514dcb680a3f732272d92641c488f8218de580244b6145b1386e37df25ed8d548ae5c067ed76a0acdd6352
• Download URL:
  https://stacks.cdc.gov/view/cdc/192009/cdc_192009_DS1.pdf
• File Type:
  [PDF - 323.63 KB ]