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-Dimethylphenol CAS Number: 105-67-9 Assessor A: D Brooks, Sirius Assessor B: Final review: Armstrong Panel/SF Chemical Formula: C 8H 10O Phase at Ambient Solid Tempertaure Date: 01-Apr-09 Date: 14-Apr-09 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 122.16 n/a Henry's Law Constant (HLC) Pa m3 mol-1 n/a 8.40E-01 10 Value from consistent range Measured value at temperature required for CLEA 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 122.16 n/a 122.17 n/a 122.164 n/a #VALUE! n/a 122.17 n/a #VALUE! n/a 122.1644 n/a #VALUE! n/a 122.16 122.16 n/a 122.17 122.17 n/a 122.164 122.164 n/a ND #VALUE! n/a 122.17 122.17 n/a ND #VALUE! n/a 122.1644 122.1644 n/a ND #VALUE! 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 6.38E-02 8 #VALUE! 25 2.37E-01 25 8.40E-01 10 #VALUE! 25 1.14E+01 25 #VALUE! 25 6.30E-07 6.38E-02 ND #VALUE! 1.72E+00 1.722 8.29E-06 0.83998425 ND #VALUE! 1.90E-01 5.28E+02 ND #VALUE! 0.203 0.203 410 2.45E-01 0.0692 0.0692 0.1815 0.1815 8 25 0.199 0.199 n/a n/a n/a 25 0.202 0.202 10 25 25 25 Ref. Temp (C) Solubility (S) 10 oC where possible. (Use unit converter if source provides different units) mg/L n/a 8.11E+03 25 Used newest reported value as no consistent range 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 6.20E+03 25 #VALUE! 7.21E+03 25 #VALUE! 8.11E+03 25 #VALUE! #VALUE! #VALUE! 6.20E+03 6.20E+03 ND #VALUE! 8.80E+03 8.80E+03 ND #VALUE! 7.87E+03 7.87E+03 ND #VALUE! ND #VALUE! ND #VALUE! 6200 6.20E+03 7819 7.82E+03 7868 7.87E+03 8795 8.80E+03 7888 7.89E+03 7888 7.89E+03 25 25 7819 7.82E+03 8200 8.20E+03 25 4200 4.20E+03 25 7979 7.98E+03 8200 8.20E+03 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 484.15 n/a Median value from consistent range Average 4.85E+02 n/a 4.84E+02 n/a 4.84E+02 n/a 4.85E+02 n/a 4.84E+02 n/a Insert Values n/a 4.84E+02 n/a Insert Values n/a 211.5 484.65 n/a 211 484.15 n/a 210.98 484.13 n/a 211.5 484.65 n/a 210 483.15 n/a n/a 484 484.00 n/a n/a n/a n/a n/a n/a 212 485.15 n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a 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 298.43 n/a Median value from consistent range Average 2.99E+02 n/a 2.98E+02 n/a 2.98E+02 n/a 2.99E+02 n/a 2.99E+02 n/a Insert Values n/a 2.98E+02 n/a Insert Values n/a 25.4 298.55 n/a 24.5 297.65 n/a 24.5 297.65 n/a 25.4 298.55 n/a 27 300.15 n/a n/a 298 298.00 n/a n/a 26 299.15 n/a n/a n/a 26 299.15 n/a 24.5 297.65 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 2.35 n/a Median value from consistent range Average 2.30E+00 n/a Insert Values n/a 2.35E+00 n/a Insert Values n/a 2.40E+00 n/a Insert Values n/a Insert Values n/a Insert Values n/a 2.3 2.30 n/a ND ND n/a 2.3 2.30 n/a ND ND n/a 2.54 2.54 n/a ND ND n/a ND ND n/a ND ND n/a n/a n/a 2.42 2.42 n/a n/a 2.42 2.42 n/a n/a n/a n/a n/a n/a 2.3 2.30 n/a n/a 2.3 2.30 n/a n/a n/a n/a n/a n/a 1.99 1.99 n/a n/a 2.42 2.42 n/a n/a n/a n/a n/a n/a 2.54 2.54 n/a n/a 2.34 2.34 n/a n/a n/a n/a n/a n/a 2.54 2.54 n/a n/a n/a n/a n/a n/a n/a n/a 2.34 2.34 n/a n/a n/a n/a n/a n/a n/a n/a 2.37 2.37 n/a n/a n/a n/a n/a n/a n/a n/a 2.95 2.95 n/a n/a n/a n/a n/a n/a n/a n/a 2.14 2.14 n/a n/a n/a n/a n/a n/a n/a n/a 1.83 1.83 n/a n/a n/a n/a n/a n/a n/a n/a 2.35 2.35 n/a n/a n/a n/a n/a n/a n/a n/a 2.48 2.48 n/a n/a n/a n/a n/a n/a n/a n/a 2.3 2.30 n/a n/a n/a n/a n/a n/a Molar Volume (Le Bas method) Enthalpy of Vaporisation at normal boiling point (EVNBP) Chemical Critical Point temperature (ambient pressure) cm3 mol-1 J Mol-1 n/a 48196.06045 147.8 n/a 4.82E+04 K 706.5500539 706.6 Normal Chemical Boiling Point n/a Single reported value Calculated value in agreement with measured values Calculated value in agreement with measured values cm3 mol-1 cm3 mol-1 Ref. Temp (C) Average n/a n/a n/a n/a n/a n/a 1.48E+02 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 147.8 147.80 n/a KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C) Average #VALUE! 4.72E+04 4.85E+04 n/a n/a n/a ND #VALUE! Normal 47.15 47150 Normal n/a n/a n/a n/a n/a n/a n/a n/a n/a Normal n/a n/a n/a Boiling Boiling Boiling Point Point Point 48.53 48530 K K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C) Average 7.08E+02 n/a #VALUE! n/a 7.63E+02 n/a #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 707.6 707.60 n/a ND #VALUE! n/a 707.55 707.55 n/a ND #VALUE! n/a n/a n/a 818.15 818.15 n/a n/a n/a n/a n/a n/a Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C) Average #VALUE! 1.00E+02 ND #VALUE! 101.325 100 Critical Pressure atm 42.36953056 42.37 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 3.568E-04 10 Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Pa 5.282947428 10 Estimated from parameters above using Grain-Watson method Diffusion coefficient in air m 2 .s -1 6.56E-06 10 Estimated from parameters above using Wilkie-Lee method Diffusion coefficient in water m 2 .s -1 5.15E-10 10 Estimated from parameters above using Hayduk and Laudie method Organic carbon-water partition coefficient Log cm 3 .g -1 2.42 n/a Estimated from parameters above using equation in Table 2.12 of SR7 Page 1 of 1 EIC proforma 2,4-dimethylphenol.xls28/08/2009
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 2,4-Dinitrotoluene CAS Number: 121-14-2 Assessor A: J Lymer, Wardell Armstrong Assessor B: D Brooks, Sirius 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 exposure routes Yes Yes Yes No No No No Group 2B carcinogen (IARC), possibly carcinogenic to humans. No health criteria available for nonthreshold 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 2 μg/kg/day Justification Conservative value adopted, reported by three reliable sources (ATSDR, US EPA Health Advisors, IRIS) Organisation Web Link Last Updated Date Web Checked Health criteria type Value Initial Units CLEA units ug.kg- 1.d-1 European Chemicals Bureau (ECB) http://ecb.jrc.it/ Feb-08 13/03/2009 No health criteria value Confidence rating Basis Value Units UF UF description Study type N/A N/A N/A N/A LOAEL 0.57 mg/kg/day N/A N/A 24 month rat study International Agency for Research on Cancer (IARC) Organisation for Economic Co-operation and Development (OECD) Screening Information Data Set (SIDS) for High Production Volume Chemicals http://inchem.org/pages/iarc.html 14/08/1997 13/03/2009 No health criteria value http://inchem.org/pages/sids.html Nov-97 13/03/2009 No health criteria value US Agency for Toxic Substances and Disease http://www.atsdr.cdc.gov/ Original December 1998 Registry (ATSDR) Toxicological Profiles and and published as MRL Minimal Risk levels December 2008 N/A NOEL 0.57-0.71 mg/kg/day None It is mutagenic in the Ames test and in in vivo tests on mammals. 13/03/2009 Chronic Oral MRL 0.002 mg/kg/day 2 N/A NOAEL 0.2 mg/kg/day 100 uncertainty factor of 100 (10 for animal-to-human extrapolation and 10 for human variability). Dog Feeding Study 2-Year - neurotoxicity USEPA Health Advisors http://www.epa.gov/waterscience/criteria/ drinking 01/01/2008 and August 2006 13/03/2009 Oral RfD 0.002 mg/kg/day 2 N/A NOAEL 0.2 mg/kg/day 100 This uncertainty factor includes a factor of 10 for interspecies variability and a factor of 10 for intraspecies variability Dog Feeding Study 2-Year - neurotoxicity USEPA Integrated Risk Information System (IRIS) http://epa.gov/iris/ 01/02/1993 13/03/2009 Oral RfD 0.002 mg/kg/day 2 High to medium NOAEL 0.2 mg/kg/day 100 This uncertainty factor includes a factor of 10 for interspecies variability and a factor of 10 for intraspecies variability Dog Feeding Study 2-Year - neurotoxicity TDI inhal Recommended TDIinh 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 Confidence rating Basis Value Units UF UF description Study type ID oral Recommended IDoral Units Justification Organisation Last Updated Non threshold effects Basis Health criteria type Value Units Confidence rating Basis Study type ID inhal Recommended IDinhal Units Justification Organisation Last Updated Non threshold effects Basis Health criteria type Value Units Confidence rating Basis Study type Page 1 of 2 EIC proforma 2,4-dinitrotoluene.xls 28/08/2009
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