Quantitative property–property relationships for computing Occupational Exposure Limits and Vapour Hazard Ratios of organic solvents

References

• Debia , M , Bégin , D and Gérin , M . 2009 . Comparative evaluation of overexposure potential indices used in solvent substitution . Ann. Occup. Hyg. , 53 : 391 – 401 .
   PubMedGoogle Scholar
• ACGIH . 2009 . TLVs® and BEIs® Based on the Documentation of the Threshold Limit Values for Chemical Substances and Physical Agents & Biological Exposure Indices , Cincinnati, OH : American Conference of Governmental Industrial Hygienists .
   Google Scholar
• ECETOC, Guidance for Setting Occupational Exposure Limits: Emphasis on Data-Poor Substances, Technical Report No. 101, European Centre for Ecotoxicology and Toxicology of Chemicals, Brussels, 2006
   Google Scholar
• Whaley , DA , Attfield , MD , Bedillion , EJ , Walter , KM and Yi , Q . 2000 . Regression method to estimate provisional TLV/WEEL-equivalents for non-carcinogens . Ann. Occup. Hyg. , 44 : 361 – 374 .
   PubMed Web of Science ®Google Scholar
• Alarie , Y , Nielsen , GD , Andonian-Haftvan , J and Abraham , MH . 1995 . Physicochemical properties of nonreactive volatile organic chemicals to estimate RD50: Alternatives to animal studies . Toxicol. Appl. Pharmacol. , 134 : 92 – 99 .
   PubMed Web of Science ®Google Scholar
• Alarie , Y , Schaper , M , Nielsen , GD and Abraham , MH . 1998 . Structure-activity relationships of volatile organic chemicals as sensory irritants . Arch. Toxicol. , 72 : 125 – 140 .
   PubMed Web of Science ®Google Scholar
• Luan , F , Ma , W , Zhang , X , Zhang , H , Liu , M , Hu , Z and Fan , BT . 2006 . Quantitative structure-activity relationship models for prediction of sensory irritants (logRD50) of volatile organic chemicals . Chemosphere. , 63 : 1142 – 1153 .
   PubMedGoogle Scholar
• Schaper , M . 1993 . Development of a database for sensory irritants and its use in establishing occupational exposure limits . Am. Ind. Hyg. Assoc. J. , 54 : 488 – 544 .
   PubMed Web of Science ®Google Scholar
• Delic , JL , Lilly , PD , MacDonald , AJ and Loizou , GD . 2000 . The utility of PBPK in the safety assessment of chloroform and carbon tetrachloride . Regul. Toxicol. Pharmacol. , 32 : 144 – 155 .
   PubMed Web of Science ®Google Scholar
• Gentry , PR , Covington , TR , Andersen , ME and Clewell , HJ . 2002 . Application of a physiologically based pharmacokinetic model for isopropanol in the derivation of a reference dose and reference concentration . Regul. Toxicol. Pharmacol. , 36 : 51 – 68 .
   PubMed Web of Science ®Google Scholar
• Pelekis , M , Krewski , D and Krishnan , K . 1997 . Physiologically based algebraic expressions for predicting steady-state toxicokinetics of inhaled vapors . Toxicol. Methods. , 7 : 205 – 225 .
   Web of Science ®Google Scholar
• US EPA, Approaches for the Application of Physiologically Based Pharmacokinetic (PBPK) Models and Supporting Data in Risk Assessment (Final Report), Report EPA/600/R-05/043F, US Environmental Protection Agency, Washington, DC, 2006
   Google Scholar
• Pastino , GM , Kousba , AA , Sultatos , LG and Flynn , EJ . 2003 . Derivation of occupational exposure limits based on target blood concentrations in humans . Regul. Toxicol. Pharmacol. , 37 : 66 – 72 .
   PubMed Web of Science ®Google Scholar
• US EPA, Estimation Programs Interface Suite™ for Microsoft® Windows, v[3.20], Office of Pollution Prevention and Toxics, US Environmental Protection Agency, Washington, DC, 2007
   Google Scholar
• Abraham , MH , Grellier , PL and McGill , RA . 1987 . Determination of olive oil–gas and hexadecane–gas partition coefficients, and calculation of the corresponding olive oil–water and hexadecane–water partition coefficients . Perkin Trans. II. , 6 : 797 – 803 .
   Google Scholar
• Gargas , ML , Seybold , PG and Andersen , ME . 1988 . Modeling the tissue solubilities and metabolic rate constant (Vmax) of halogenated methanes, ethanes, and ethylenes . Toxicol. Lett. , 43 : 235 – 256 .
   PubMed Web of Science ®Google Scholar
• Klopman , G , Ding , C and Macina , OT . 1997 . Computer aided olive oil–gas partition coefficient calculations . J. Chem. Inf. Comput. Sci. , 37 : 569 – 575 .
   Google Scholar
• Beliveau , M , Lipscomb , J , Tardif , R and Krishnan , K . 2005 . Quantitative structure-property relationships for interspecies extrapolation of the inhalation pharmacokinetics of organic chemicals . Chem. Res. Toxicol. , 18 : 475 – 485 .
   PubMed Web of Science ®Google Scholar
• Ali , N and Tardif , R . 1999 . Toxicokinetic modeling of the combined exposure to toluene and n-hexane in rats and humans . J. Occup. Health. , 41 : 95 – 103 .
   Web of Science ®Google Scholar
• Clewell , HJ , Gentry , PR , Gearhart , JM , Covington , TR , Banton , MI and Andersen , ME . 2001 . Development of a physiologically based pharmacokinetic model of isopropanol and its metabolite acetone . Toxicol. Sci. , 63 : 160 – 172 .
   PubMed Web of Science ®Google Scholar
• Horton , VL , Higuchi , MA and Rickert , DE . 1992 . Physiologically based pharmacokinetic model for methanol in rats, monkeys, and humans . Toxicol. Appl. Pharmacol. , 117 : 26 – 36 .
   PubMed Web of Science ®Google Scholar
• Liira , J , Johanson , G and Riihimaki , V . 1990 . Dose-dependent kinetics of inhaled methylethylketone in man . Toxicol. Lett. , 50 : 195 – 201 .
   PubMed Web of Science ®Google Scholar
• Pelekis , M , Gephart , LA and Lermanb , SE . 2001 . Physiological-model-based derivation of the adult and child pharmacokinetic intraspecies uncertainty factors for volatile organic compounds . Regul. Toxicol. Pharmacol. , 33 : 12 – 20 .
   PubMed Web of Science ®Google Scholar
• Perico , A , Cassinelli , C , Brugnone , F , Bavazzano , P and Perbellini , L . 1999 . Biological monitoring of occupational exposure to cyclohexane by urinary 1,2- and 1,4-cyclohexanediol determination . Int. Arch. Occup. Environ. Health. , 72 : 115 – 120 .
   PubMedGoogle Scholar
• Poulin , P and Krishnan , K . 1996 . Molecular structure-based prediction of the partition coefficients of organic chemicals for physiological pharmacokinetic models . Toxicol. Methods. , 6 : 117 – 137 .
   Web of Science ®Google Scholar
• SCOEL . 2009 . Methodology for the Derivation of Occupational Exposure Limits: Key Documentation (version 6) , Luxembourg : Scientific Committee on Occupational Exposure Limits .
   Google Scholar
• SPSS Version 17.0. SPSS Inc., Statistical Package for the Social Sciences, Chicago, IL, 2008
   Google Scholar
• Wold , S . 1991 . Validation of QSARs . Quant. Struct-Act. Relat. , 10 : 191 – 193 .
   Web of Science ®Google Scholar
• Ekins , S and Obach , RS . 2000 . Three-dimensional quantitative structure activity relationship computational approaches for prediction of human in vitro intrinsic clearance . J. Pharmacol. Exp. Ther. , 295 : 463 – 473 .
   PubMed Web of Science ®Google Scholar
• Krishnan , K , Gargas , ML and Andersen , ME . 1999 . “ In vitro toxicology and risk assessment ” . In Alternative Methods in Toxicology , Edited by: Goldberg , AM . Vol. 9 , 185 – 206 . New York : Mary Ann Liebert .
   Google Scholar
• ECETOC, (Q)SARs: Evaluation of the commercially available software for human health and environmental endpoints with respect to chemical management applications, Technical Report No. 89, European Centre for Ecotoxicology and Toxicology of Chemicals, Brussels, 2003
   Google Scholar
• Gouvernement du Québec . 2001 . Regulation respecting occupational health and safety . Gazette officielle du Québec, Part 2. , 133 18 July : 3888 – 3994 .
   Google Scholar
• Government of Canada . 2008 . Canada Occupational Health and Safety Regulations (SOR/86-304) , Ottawa, ON : Department of Justice .
   Google Scholar
• European Union . 2004 . Directive 2004/37/EC of the European Parliament and of the Council of 29 April 2004 on the protection of workers from the risks related to exposure to carcinogens or mutagens at work . Off. J. Eur. Union. , L47 : 50 – 76 .
   Google Scholar
• République Française, Code du travail, Partie règlementaire, Section 2: Dispositions particulières aux agents chimiques dangereux cancérogènes, mutagènes et toxiques pour la reproduction, Article R4412-66, Décret n°2008-244 du 7 mars 2008 - art. (V), 2008 [in French]
   Google Scholar
• Debia , M , Bégin , D and Gérin , M . 2008 . Étude de cas de substitution de solvant pour le nettoyage de disjoncteurs haute tension . Travail Santé. , 24 : S2 – S8 . [in French]
   Google Scholar
• Government of Japan, SIDS Initial Assessment Report: 3-Methoxy-3-methyl-1-butanol - CAS N°: 56539-66-3, Organization for Economic Co-operation and Development Screening Information DataSets (OECD SIDS), United Nations Environment Programme, Geneva, 2004
   Google Scholar