title: Fragrances and other materials in deodorants: search for potentially sensitizing molecules using combined GC-MS and structure activity relationship (SAR) analysis.
abstract: Deodorants are one of the most frequently-used types of cosmetics and are a source of allergic contact dermatitis. Therefore, a gas chromatography - mass spectrometric analysis of 71 deodorants was performed for identification of fragrance and non-fragrance materials present in marketed deodorants. Futhermore, the sensitizing potential of these molecules was evaluated using structure activity relationships (SARs) analysis. This was based on the presence of 1 or more chemically reactive site(s), in the chemical structure, associated with sensitizing potential. Among the many different substances used to formulate cosmetic products (over 3500), 226 chemicals were identified in a sample of 71 deodorants. 84 molecules were found to contain at least 1 structural alert, and 70 to belong to, or be susceptible to being metabolized into, the chemical group of aldehydes, ketones and alpha,beta-unsaturated aldehydes, ketone or esters. The combination of GC-MS and SARs analysis could be helpful in the selection of substances for supplementary investigations regarding sensitizing properties. Thus, it may be a valuable tool in the management of contact allergy to deodorants and for producing new deodorants with decreased propensity to cause contact allergy.
authors.affiliation: Department of Environmental Chemistry, National Environmental Research Institute, Roskilde, Denmark.
authors.forename: S C
authors.initials: SC
authors.lastname: Rastogi
authors.forename: J P
authors.initials: JP
authors.lastname: Lepoittevin
authors.forename: J D
authors.initials: JD
authors.lastname: Johansen
authors.forename: P J
authors.initials: PJ
authors.lastname: Frosch
authors.forename: T
authors.initials: T
authors.lastname: Menné
authors.forename: M
authors.initials: M
authors.lastname: Bruze
authors.forename: B
authors.initials: B
authors.lastname: Dreier
authors.forename: K E
authors.initials: KE
authors.lastname: Andersen
authors.forename: I R
authors.initials: IR
authors.lastname: White
mesh_terms: D000336:Aerosols; D000485:Allergens / Q000009:adverse effects / Q000737:chemistry*; D003836:Deodorants / Q000009:adverse effects / Q000737:chemistry*; D017449:Dermatitis, Allergic Contact / Q000209:etiology*; D008401:Gas Chromatography-Mass Spectrometry; D006801:Humans; D010476:Perfume / Q000009:adverse effects / Q000032:analysis*; D013329:Structure-Activity Relationship
chemical_list: D000336:Aerosols; D000485:Allergens; D003836:Deodorants; D010476:Perfume