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: J Lymer / R Reuter, Wardell 2,4-Dinitrotoluene CAS Number: 121-14-2 Assessor A: Assessor B: Armstrong D Brooks, Sirius Final review: Panel/SF Chemical Formula: Phase at Ambient C 7H 6N 2O 4 Solid Tempertaure Date: 11/03/2009 Date: 14/04/2009 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 g mol -1 n/a 182.134 n/a Henry's Law Constant (HLC) Pa m3 mol-1 n/a 5.46E-03 25 Median value from consistent range Newest reported value as no consistent range 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 Average 182.13 n/a 182.14 n/a 182.134 n/a Insert Values n/a 182.14 n/a Insert Values n/a 182.1336 n/a Insert Values n/a 182.13 182.13 n/a 182.14 182.14 n/a 182.134 182.134 n/a n/a 182.14 182.14 n/a n/a 182.1336 182.1336 n/a 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 8.78E-02 25 #VALUE! 25 3.79E-01 25 5.46E-03 25 #VALUE! 25 4.78E+00 25 #VALUE! 25 8.67E-07 8.78E-02 ND #VALUE! 1.60E-02 0.016 5.39E-08 0.005461418 ND #VALUE! 2.10E+01 4.78E+00 ND #VALUE! 0.456 0.456 0.0878 0.0878 32.23 32.23 25 25 25 n/a n/a n/a 25 25 25 25 Ref. Temp (C) Solubility (S) 10 oC where possible. (Use unit converter if source provides different units) mg/L n/a 1.29E+02 12.4 Reported value measured at 12.4 degrees, the closest temperature to CLEA input 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 3.00E+02 #VALUE! 1.96E+02 #VALUE! 1.29E+02 12.4 #VALUE! #VALUE! #VALUE! 3.00E+02 3.00E+02 ND #VALUE! 2.76E+02 2.76E+02 ND #VALUE! 1.29E+02 1.29E+02 ND #VALUE! ND #VALUE! ND #VALUE! 145 1.45E+02 189 1.89E+02 22 12.4 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 573.15 n/a Consistent values - potential for decomposition noted Average 5.73E+02 n/a 5.73E+02 n/a 5.73E+02 n/a Insert Values n/a 5.73E+02 n/a Insert Values n/a Insert Values n/a Insert Values n/a 300 573.15 n/a 300 573.15 n/a 300 573.15 n/a n/a 300 573.15 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 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 344.15 n/a Median value from consistent range Average 3.44E+02 n/a 3.44E+02 n/a 3.44E+02 n/a Insert Values n/a 3.44E+02 n/a Insert Values n/a 3.42E+02 n/a Insert Values n/a 71 344.15 n/a 71 344.15 n/a 70.5 343.65 n/a n/a 71.1 344.25 n/a n/a 341 341.00 n/a n/a n/a n/a n/a n/a 67 n/a n/a 343 343.00 n/a n/a n/a n/a n/a n/a 70 n/a n/a 345 345.00 n/a n/a n/a n/a n/a n/a n/a n/a 343 343.00 n/a n/a n/a n/a n/a n/a n/a n/a 340 340.00 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 Median value from consistent range Average 1.98E+00 n/a Insert Values n/a 2.00E+00 n/a Insert Values n/a 1.98E+00 n/a Insert Values n/a Insert Values n/a Insert Values n/a 1.98 1.98 n/a ND ND n/a 1.98 1.98 n/a ND ND n/a 1.98 1.98 n/a ND ND n/a ND ND n/a ND ND n/a n/a n/a 2.04 2.04 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 1.98 1.98 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 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 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 Molar Volume (Le Bas method) cm3 mol-1 n/a 175.2 n/a Single reported value 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 n/a n/a Average 1.75E+02 n/a 175.2 175.20 n/a Enthalpy of Vaporisation at normal boiling point (EVNBP) J Mol-1 60965.08192 6.10E+04 Normal Chemical Boiling Point Calculated Value KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C) Average 3.32E+04 #VALUE! #VALUE! n/a n/a n/a 33.2 33200 Normal ND #VALUE! Normal n/a n/a n/a n/a n/a n/a n/a n/a n/a ND #VALUE! Normal Boiling Boiling Boiling 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 Average Insert Values n/a #VALUE! n/a Insert Values n/a #VALUE! n/a temperature K 791.0055977 791.0 n/a Calculated Value n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a ND ND n/a ND #VALUE! n/a ND ND n/a ND #VALUE! n/a (ambient pressure) n/a n/a n/a n/a n/a n/a n/a n/a Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C) Average #VALUE! #VALUE! ND #VALUE! ND #VALUE! Critical Pressure atm 33.51945437 33.52 Calculated Value 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 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 3.672E-07 10 Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Pa 0.015351668 10 Estimated from parameters above using Grain-Watson method Diffusion coefficient in air m 2 .s -1 5.71E-06 10 Estimated from parameters above using Wilkie-Lee method Diffusion coefficient in water m 2 .s -1 4.66E-10 10 Estimated from parameters above using Hayduk and Laudie method Organic carbon-water partition coefficient Log cm 3 .g -1 2.15 n/a Estimated from parameters above using equation in Table 2.12 of SR7 Page 1 of 1 EIC proforma 2,4-dinitrotoluene.xls 28/08/2009
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 2,6-Dinitrotoluene CAS Number: 606-20-2 Assessor A: D Brooks, Sirius Assessor B: J Lymer, Wardell Armstrong Final review: Panel/SF Date 13/03/2009 Date 14/04/2009 Date 28/08/2009 Oral Dermal Inhalation Combine Oral and Inhalation TDIs Justification Apply TDIoral to exposure routes Apply IDoral to exposoure routes Yes Yes Yes No No No NR Group 2B carcinogen (IARC), possibly carcinogenic to humans. No health criteria available for non-threshold effects therefore HCV based on derived TDI. TDIoral applied to oral,dermal and inhalation routes Apply TDIinh to exposure routes Apply IDinh to exposure routes No No No No No No Inadequate data available to derive inhalation HCV TDI oral Recommended TDIoral Units 1 μg/kg/day Justification Only available value from reliable sources (USEPA Health Advisors and USEPA PPRTV) chosen Organisation Web Link Last Updated Date Web Checked Health criteria type Value Initial Units CLEA units ug.kg- 1.d-1 International Agency for Research on Cancer (IARC) US Agency for Toxic Substances and Disease Registry (ATSDR) Toxicological Profiles and Minimal Risk levels http://inchem.org/pages/iarc.html 14/08/1997 13/03/2009 No health criteria value http://www.atsdr.cdc.gov/ Original December 1998 and published as MRL December 2008 13/03/2009 No health criteria value Confidence rating Basis Value Units UF UF description USEPA Health Advisors http://www.epa.gov/waterscience/criteria/d rinking 01/01/2008 and August 2006 13/03/2009 Oral Rfd 0.001 mg/kg/day 1 N/A NOAEL 4 mg/kg/day 3000 Includes a tenfold UF for intraspecies variability, another tenfold UF to account for interspecies extrapolation, and another tenfold UF for use of a less-than-lifetime study. An additional factor of 3 is used to account for the limited database. US EPA Provisional Peer Reviewed Toxicity Values (PPRTV) http://rais.ornl.gov/tox/unauthorized.shtml 13/12/2004 15/07/2009 Chronic Rfd 0.001 mg/kg/day 1 N/A NOAEL 4 mg/kg/day 3000 10 for interspecies; 10 for intraspecies; 3 for database limitations & 10 for subchronic to chronic TDI inhal Recommended TDIinh N/A Units Justification Inadequate data available to derive inhalation HCV Organisation Last Updated Health criteria type Value Initial Units CLEA units ug.kg- 1.d-1 Recommended ID oral IDoral Units Justification Confidence rating Basis Value Units UF UF description Organisation Last Updated Non threshold effects ID inhal Basis Recommended IDinh Health criteria type Units Value Units Confidence rating Basis Justification Organisation Last Updated Non threshold effects Basis Health criteria type Value Units Confidence rating Basis Page 1 of 2 EIC proforma 2,6-dinitrotoluene.xls 28/08/2009
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