Soil Generic Assessment Criteria for Human Health Risk ... - ESdat

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www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 Substance: 2-Methylphenol (o-Cresol) CAS Number: 95-48-7 Assessor A: Mathew Rouge Assessor B: Gareth Wills Final Review: Panel/SF Chemical Formula: C7H8O Phase at Ambient Solid Tempertaure Date: 25/03/2009 Date: 30/04/2009 Date: 28/08/2009 http://srdata.nist.gov/solubility/ http://webbook.nist.gov/chemistry/ http://cs3-hq.oecd.org/scripts/hpv/ A B C D E F G H Property Units Calculated Value Adopted Value Ref. Temp (C) Rationale References HOWARD, 1990 LIDE, 2008 MACKAY et al, 2006 MERCK, 2006 MONTGOMERY, 2007 MONTGOMERY, 1997 NIST, 2005 OECD, 2000 Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Source Units SR7 Units Ref. Temp (C) Required Parameters Relative Molecular Mass Henry's Law Constant (HLC) Pa m3 mol-1 n/a 1.45E-01 25 Solubility (S) 10 oC where possible. (Use unit converter if source provides different units) g mol -1 mg/L n/a 108.138 n/a n/a 1.24E+04 25 central value from consistent range Values not in consistent range. Most recent value selected Values not in consistent range. Most recent value closest to 10 degrees selected g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) g mol -1 g mol -1 Ref. Temp (C) Average 108.15 n/a 108.138 n/a 108.138 n/a 108.14 n/a 108.14 n/a #VALUE! n/a 108.1378 n/a 108.2 n/a 108.15 108.15 n/a 108.138 108.138 n/a 108.138 108.138 n/a 108.14 108.14 n/a 108.14 108.14 n/a No info. #VALUE! n/a 108.1378 108.1378 n/a 108.2 108.2 n/a atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) KPa m3 mol-1 Pa m3 mol-1 Ref. Temp (C) Pa m3 mol-1 Pa m3 mol-1 Ref. Temp (C) n/a n/a n/a atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) mol kg-1 bar-1 Pa m3 mol-1 Ref. Temp (C) atm m3 mol-1 Pa m3 mol-1 Ref. Temp (C) Geomean 1.62E-01 25 #VALUE! 25 1.56E-01 25 1.45E-01 25 #VALUE! 25 1.42E-01 25 #VALUE! 25 1.60E-06 1.62E-01 No info. #VALUE! 1.24E-01 0.124 1.20E-06 0.12159 No info. #VALUE! 1.20E+03 8.36E-02 No info. #VALUE! 0.07 0.07 0.00000095 0.09625875 820 1.22E-01 1.082 1.082 0.00000157 0.15908025 260 3.86E-01 0.162 0.162 0.00000233 0.23608725 830 1.21E-01 25 25 0.0852 0.0852 n/a n/a n/a 820 1.22E-01 25 25 25 0.178 0.178 25 25 0.159 0.159 0.102 0.102 0.239 0.239 0.0965 0.0965 mg/L mg/L Ref. Temp (C) g/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) mg/L mg/L Ref. Temp (C) Geomean 3.08E+04 40 3.18E+04 40 2.57E+04 25 #VALUE! 1.24E+04 25 #VALUE! #VALUE! 2.50E+04 3.08E+04 3.08E+04 3.18E+01 31800 2.50E+04 2.50E+04 No info. #VALUE! 2.60E+04 2.60E+04 No info. #VALUE! No info. #VALUE! 2.50E+04 2.50E+04 25950 2.60E+04 26800 2.68E+04 25000 2.50E+04 2725.13 2.73E+03 26800 2.68E+04 40 40 25 25 25 o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C) Chemical Boiling Point (ambient pressure) K n/a 4.64E+02 n/a central value from consistent range Average 4.64E+02 n/a 4.64E+02 n/a 4.64E+02 n/a 4.64E+02 n/a 4.64E+02 n/a #VALUE! n/a 4.64E+02 n/a 4.64E+02 n/a 190.95 464.10 n/a 191.04 464.19 n/a 191.04 464.19 n/a 191 464.15 n/a 191 464.15 n/a No info. #VALUE! n/a 464.3 464.30 n/a 191 464.15 n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C) Chemical Melting Point (ambient pressure) K n/a 3.04E+02 n/a central value from consistent range Average 3.04E+02 n/a 3.04E+02 n/a 3.04E+02 n/a 3.03E+02 n/a 3.04E+02 n/a #VALUE! n/a 3.04E+02 n/a 3.03E+02 n/a 30.9 304.05 n/a 31.03 304.18 n/a 31.03 304.18 n/a 30 303.15 n/a 30.9 304.05 n/a No info. #VALUE! n/a 304.2 304.20 n/a 30 303.15 n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Dimensionless Dimensionless Ref. Temp (C) Log Octanol - Water Coefficient Dimensionless n/a 1.98 n/a central value from consistent range Average 1.95E+00 n/a 1.98E+00 n/a 2.00E+00 n/a Insert Values n/a 1.97E+00 n/a Insert Values n/a Insert Values n/a 1.95E+00 n/a 1.95 1.95 n/a 1.98 1.98 n/a 2.04 2.04 n/a No info. No info. n/a 1.93 1.93 n/a No info. No info. n/a No info. No info. n/a 1.95 1.95 n/a n/a n/a 1.95 1.95 n/a n/a 2.01 2.01 n/a n/a n/a n/a n/a n/a 1.95 1.95 n/a n/a 1.95 1.95 n/a n/a n/a n/a n/a n/a 2.045 2.05 n/a n/a 1.99 1.99 n/a n/a n/a n/a n/a n/a 2.17 2.17 n/a n/a 1.96 1.96 n/a n/a n/a n/a n/a n/a 1.96 1.96 n/a n/a n/a n/a n/a n/a n/a n/a 1.99 1.99 n/a n/a n/a n/a n/a n/a n/a n/a 1.98 1.98 n/a n/a n/a n/a n/a n/a n/a n/a 1.97 1.97 n/a n/a n/a n/a n/a n/a n/a n/a 1.98 1.98 n/a n/a n/a n/a n/a n/a Molar Volume (Le Bas method) cm3 mol-1 n/a 126 n/a Single value selected cm3 mol-1 cm3 mol-1 Ref. Temp (C) n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a Average 1.26E+02 n/a 125.6 125.60 n/a n/a n/a Enthalpy of Vaporisation at normal boiling point (EVNBP) J Mol-1 46217.26379 4.62E+04 Normal Chemical Boiling Point Calculated value chosen - this is similar to range of reported values KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C) Average 4.52E+04 4.52E+04 4.49E+04 n/a n/a n/a 45.19 45190 46.94 46940 n/a n/a n/a n/a n/a n/a n/a n/a n/a 44.89 44890 Normal Normal Normal 45.91 45910 Boiling Boiling Boiling 42.7 42700 Point Point Point n/a n/a n/a K K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C) Chemical Critical Point Calculated value chosen - Average 6.98E+02 n/a #VALUE! n/a 6.97E+02 n/a #VALUE! n/a temperature K 692.2160012 6.92E+02 n/a this is similar to range of n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a 697.6 697.60 n/a No info. #VALUE! n/a 697.6 697.60 n/a No info. #VALUE! n/a (ambient pressure) reported values n/a n/a 697.55 697.55 n/a n/a n/a n/a 695.15 695.15 n/a n/a Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C) Average 4.12E+01 - 4.62E+01 - 41.7 41.15470022 41.7 41.15470022 Critical Pressure atm 49.97594555 5.00E+01 - Calculated value chosen n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a 48.636 48 n/a n/a n/a - 50.0546 49.40004935 - Calcuated parameters for input to CLEA model (UPDATED FROM THE SPREADSHEET TOOL) Property Units Calculated Value Ref. Temp (C) Rationale Property Units Calculated Value Ref. Temp (C) Rationale Property Units Calculated Value Ref. Temp (C) Rationale Property Units Calculated Value Ref. Temp (C) Rationale Property Units Calculated Value Ref. Temp (C) Rationale Air-water partition coefficient at ambient soil temperature cm 3 .cm -3 1.795E-05 10 Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Pa 15.26808446 10 Estimated from parameters above using Grain-Watson method Diffusion coefficient in air m 2 .s -1 7.16E-06 10 Estimated from parameters above using Wilkie-Lee method Diffusion coefficient in water m 2 .s -1 5.66E-10 10 Estimated from parameters above using Hayduk and Laudie method Organic carbon-water partition coefficient Log cm 3 .g -1 2.21 n/a Estimated from parameters above using equation in Table 2.12 of SR7 (Page 1 of 1) (EIC proforma 2-methylphenol.xls 28/08/2009)
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 Contaminant Name: 3-Methylphenol CAS Number: 108-39-4 Assessor A: Mathew Rouge Assessor B: Gareth Wills Final Review: Panel/SF Date: Mar-09 Date: Apr-09 Date: 28/08/2009 Apply TDIoral to exposure routes Apply IDoral to exposure routes Oral Dermal Inhalation Combine Oral and Inhalation TDIs Yes Yes Yes No No No Justification TDIoral applied to oral, dermal and inhalation routes. Insufficient data to assess non threshold effects, so HCV based on threshold effects. Apply TDIinh to exposure routes Apply IDinh to exposure routes No No No No No No NR Insufficient data with sufficient detail on derivation to derive HCV. Use route-to-route extrapolation from oral route. Insufficient data to assess non threshold effects, so HCV based on threshold effects. TDI oral Recommended TDIoral Units 100 μg.kg-1.d-1 Justification Most recent and longer term study data used (ATSDR value for total cresols) Organisation Web Link Last Updated Date Web Checked Health criteria type Value Initial Units CLEA units ug.kg- 1.d-1 IPCS INCHEM http://inchem.org/ 1995 Mar-09 Acceptable Daily Intake for cresols Confidence rating Basis Value Units UF UF description 0.17 mg/kg/d 170 No info. NOAEL 50 mg/kg/d 300 10 for interspecies variation; 10 to account for the lack of chronic toxicity studies and possible genotoxic and promoting activity of cresols and 3 to account for intraspecies variation based on the rapid and complete metabolism Dutch National Institute for Public Health and the Environment (RIVM) Maximum Permissible Risk (MPR) levels http://www.rivm.nl/en/ 2000 Mar-09 TDI 0.05 mg/kg/d 50 No info. LOAEL 50 mg/kg/d 1000 10 for interspecies, 10 for intraspecies variability and 10 for the lack of a NOAEL US Agency for Toxic Substances and Disease Registry (ATSDR) Toxicological Profiles and Minimal Risk levels http://www.atsdr.cdc.gov/ 2008 Mar-09 Minimal Risk Level (NOAEL) for cresols. Also provides IRIS RfD below for o- cresol 0.1 mg/kg/d 100 No info. LOAEL 100 mg/kg/d 1000 10 for extrapolation from animals to humans, 10 for human variability and 10 for use of LOAEL USEPA Integrated Risk Information System (IRIS) http://epa.gov/iris/ 1990 Mar-09 RfD 0.05 mg/kg/d 50 Study - High, Database - Med, RfD - Med NOAEL 50 mg/kg/d 1000 10 for interspecies, 10 for intraspecies variability and 10 for uncertainty in extrapolation of subchronic data to levels of chronic effects TDI inhal Recommended TDIinhal N/A Units μg.kg-1.d-1 Justification Insufficient data with sufficient detail to derive HCV Organisation Last Updated Health criteria type Value Initial Units CLEA units ug.kg- 1.d-1 Dutch National Institute for Public Health and the Environment (RIVM) Maximum Permissible Risk (MPR) levels http://www.rivm.nl/en/ 2000 Mar-09 Tolerable concentration in air (TCA) Confidence rating 170 ug/m3 50 TCA is provisional Basis Value Units UF UF description Not provided Not provided Not provided Not provided Not provided US Agency for Toxic Substances and Disease Registry (ATDSR) Toxicological Profiles and Minimal Risk levels http://www.atsdr.cdc.gov/ 2008 Mar-09 No derivation of inhalation MRL because the inhalation data are inadequate to establish concentrationresponse relationships n/a n/a n/a n/a n/a n/a n/a n/a n/a USEPA Integrated Risk Information System (IRIS) http://epa.gov/iris/ 1991 Mar-09 Insufficient information exists to derive an RfC n/a n/a n/a n/a n/a n/a n/a n/a n/a (Page 1 of 4) (EIC proforma 3-methylphenol.xls 28/08/2009)
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