title: Use of read-across and computer-based predictive analysis for the safety assessment of PEG cocamines.
abstract: In the European Union animal testing has been eliminated for cosmetic ingredients while the US Cosmetic Ingredient Review Expert Panel may request data from animal studies. The use of read-across and predictive toxicology provides a path for filling data gaps without additional animal testing. The PEG cocamines are tertiary amines with an alkyl group derived from coconut fatty acids and two PEG chains of varying length. Toxicology data gaps for the PEG cocamines can be addressed by read-across based on structure-activity relationship using the framework described by Wu et al. (2010) for identifying suitable structural analogs. Data for structural analogs supports the conclusion that the PEG cocamines are non-genotoxic and not expected to exhibit systemic or developmental/reproductive toxicity with use in cosmetics. Due to lack of reliable dermal sensitization data for suitable analogs, this endpoint was addressed using predictive software (TIMES SS) as a first step (Laboratory of Mathematical Chemistry). The prediction for PEG cocamines was the same as that for PEGs, which have been concluded to not present a significant concern for dermal sensitization. This evaluation for PEG cocamines demonstrates the utility of read-across and predictive toxicology tools to assess the safety of cosmetic ingredients.
authors: The Procter & Gamble Company, Central Product Safety, Cincinnati, OH, United States.
authors: Julie A
authors: JA
authors: Skare
authors: The Procter & Gamble Company, Central Product Safety, Cincinnati, OH, United States.
authors: Karen
authors: K
authors: Blackburn
authors: The Procter & Gamble Company, Central Product Safety, Cincinnati, OH, United States.
authors: Shengde
authors: S
authors: Wu
authors: L'Oreal Research & Innovation, Clark, NJ, United States.
authors: Thomas A
authors: TA
authors: Re
authors: L'Oreal Research & Innovation, Aulnay-Sous-Bois, France.
authors: Daniel
authors: D
authors: Duche
authors: L'Oreal Research & Innovation, Aulnay-Sous-Bois, France.
authors: Stephanie
authors: S
authors: Ringeissen
authors: The Procter & Gamble Company, Central Product Safety, Cincinnati, OH, United States.
authors: Donald L
authors: DL
authors: Bjerke
authors: L'Oreal Research & Innovation, Clark, NJ, United States.
authors: Viny
authors: V
authors: Srinivasan
authors: The Personal Care Products Council, Washington, DC, United States. Electronic address: eisenmannc@personalcarecouncil.org.
authors: Carol
authors: C
authors: Eisenmann
mesh_terms: D000588:Amines / Q000737:chemistry / Q000633:toxicity*; D000818:Animals; D003198:Computer Simulation; D003358:Cosmetics / Q000737:chemistry / Q000633:toxicity*; D003877:Dermatitis, Contact / Q000209:etiology; D005123:Eye / Q000187:drug effects; D006801:Humans; D007509:Irritants / Q000737:chemistry / Q000633:toxicity*; D051379:Mice; D008962:Models, Theoretical; D015394:Molecular Structure; D009152:Mutagenicity Tests; D011092:Polyethylene Glycols / Q000737:chemistry / Q000633:toxicity*; D018570:Risk Assessment; D012867:Skin / Q000187:drug effects; D023422:Skin Irritancy Tests; D012984:Software; D013329:Structure-Activity Relationship; D018675:Toxicity Tests / Q000379:methods*
chemical_list: D000588:Amines; D003358:Cosmetics; D007509:Irritants; D011092:Polyethylene Glycols
keywords: Chemical analog identification; Cosmetics; Polyethylene glycol cocamine; Read-across; Safety assessment; Structure activity relationship (SAR)