2013
DOI: 10.1021/tx400097v
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Is Diacetyl a Respiratory Sensitizer? A Reconsideration Using QSAR, QMM, and Competition Experiments

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 e… Show more

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Cited by 12 publications
(9 citation statements)
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“…These findings were incongruent with other published studies and the results published here. Roberts et al, reported the EC3 value for diacetyl (producer not reported) to be 11.3% (Roberts et al, 1999) and analytical studies conducted by Dworak et al calculated a higher EC3 value and weak sensitization potential for diacetyl (Dworak et al, 2013). In an attempt to resolve this issue, chemical characterization and skin sensitization potential of diacetyl purchased from numerous producers was evaluated.…”
Section: Discussionmentioning
confidence: 99%
“…These findings were incongruent with other published studies and the results published here. Roberts et al, reported the EC3 value for diacetyl (producer not reported) to be 11.3% (Roberts et al, 1999) and analytical studies conducted by Dworak et al calculated a higher EC3 value and weak sensitization potential for diacetyl (Dworak et al, 2013). In an attempt to resolve this issue, chemical characterization and skin sensitization potential of diacetyl purchased from numerous producers was evaluated.…”
Section: Discussionmentioning
confidence: 99%
“…In other words, although diacetyl is highly reactive, airway site binding cannot be predicted, and short‐term exposure risk may differ from long‐term exposure risk. In related research, Dworak and others () concluded that diacetyl is unlikely to have significant respiratory sensitization potential.Thus, it appears as though the exposure recommendations proposed by Egilman and others () and by Egilman and Schilling () are more restrictive than necessary.…”
Section: Diacetyl Health Effectsmentioning
confidence: 99%
“…22,23 According to Dworak et al's computational modeling study, it is suggested that diacetyl is lack of respiratory sensitization potency. 51 Furthermore, NTP report suggests that diacetyl could not induce contact sensitization. In accordance with our results, we suggest that diacetyl might not have the capability to induce contact sensitization by dermal exposure.…”
Section: Discussionmentioning
confidence: 99%