Is diacetyl a respiratory sensitizer? A reconsideration using QSAR, QMM, and competition experiments

Chem Res Toxicol. 2013 May 20;26(5):631-3. doi: 10.1021/tx400097v. Epub 2013 Apr 17.

Abstract

Concerns have been raised that diacetyl (DA) might be a respiratory sensitizer based on its LUMO energy similar to that of the respiratory allergen toluene-2,4-diisocyanate (TDI) and results of a local lymph node assay (LLNA) that reported an EC3 of 1.9%. To better understand the concerns, we performed a systematic literature review and experimental competition reactions between DA and TDI. The experimental evidence demonstrates that DA is at least 400-fold less reactive than TDI. The literature review finds evidence that the EC3 for DA is actually >11%. We conclude that DA is unlikely to have significant respiratory sensitization potential.

Publication types

  • Review
  • Systematic Review

MeSH terms

  • Allergens / adverse effects*
  • Allergens / chemistry
  • Animals
  • Binding, Competitive / drug effects
  • Diacetyl / adverse effects*
  • Diacetyl / chemistry
  • Humans
  • Local Lymph Node Assay
  • Lymph Nodes / drug effects*
  • Quantitative Structure-Activity Relationship*
  • Quantum Theory*
  • Respiratory Hypersensitivity / chemically induced*
  • Toluene 2,4-Diisocyanate / adverse effects
  • Toluene 2,4-Diisocyanate / chemistry
  • Toxicity Tests

Substances

  • Allergens
  • Toluene 2,4-Diisocyanate
  • Diacetyl