Fragrances and other materials in deodorants: search for potentially sensitizing molecules using combined GC-MS and structure activity relationship (SAR) analysis.
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.
Rastogi
S C
SC
Department of Environmental Chemistry, National Environmental Research Institute, Roskilde, Denmark.
Lepoittevin
J P
JP
Johansen
J D
JD
Frosch
P J
PJ
Menné
T
T
Bruze
M
M
Dreier
B
B
Andersen
K E
KE
White
I R
IR
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
D000336:Aerosols; D000485:Allergens; D003836:Deodorants; D010476:Perfume