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: 3-Methylphenol (m-Cresol) CAS Number: 108-39-4 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 g mol -1 n/a 108.138 n/a Henry's Law Constant (HLC) Pa m3 mol-1 n/a 8.75E-02 25 central value from consistent range values not in consistent rance. Most recent value 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 #VALUE! n/a #VALUE! n/a 108.1378 n/a 108.15 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 No info. #VALUE! n/a No info. #VALUE! n/a 108.1378 108.1378 n/a 108.15 108.15 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 8.82E-02 25 #VALUE! 25 8.75E-02 25 #VALUE! 25 #VALUE! 25 1.08E-01 25 #VALUE! 25 8.70E-07 8.82E-02 No info. #VALUE! 8.81E-02 0.0881 No info. #VALUE! No info. #VALUE! 1.40E+03 7.16E-02 No info. #VALUE! 0.0875 0.0875 620 1.62E-01 0.0627 0.0627 0.0718 0.0718 25 25 0.1068 0.1068 n/a n/a n/a 25 0.0865 0.0865 25 25 25 25 0.0848 0.0848 0.0868 0.0868 0.127 0.127 Solubility (S) 10 oC where possible. (Use unit converter if source provides different units) mg/L n/a 2.25E+04 25 values not in consistent range. Mackay value selected, as opposed to most recent, as based on lower ref temperature 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 2.30E+04 25 2.58E+04 40 2.25E+04 25 #VALUE! #VALUE! #VALUE! #VALUE! 2.40E+04 2.30E+04 2.30E+04 2.58E+01 25800 2.27E+04 2.27E+04 No info. #VALUE! No info. #VALUE! No info. #VALUE! No info. #VALUE! 2.40E+04 2.40E+04 25000 2.50E+04 23194 2.32E+04 19600 1.96E+04 25 40 25 20 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 4.75E+02 n/a central value from consistent range Average 4.75E+02 n/a 4.75E+02 n/a 4.75E+02 n/a 4.75E+02 n/a #VALUE! n/a #VALUE! n/a 4.75E+02 n/a 4.75E+02 n/a 202 475.15 n/a 202.27 475.42 n/a 202.27 475.42 n/a 202 475.15 n/a No info. #VALUE! n/a No info. #VALUE! n/a 475.2 475.20 n/a 202 475.15 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 central value from Average 2.85E+02 n/a 2.85E+02 n/a 2.85E+02 n/a 2.85E+02 n/a #VALUE! n/a #VALUE! n/a 2.85E+02 n/a 2.85E+02 n/a K n/a 2.85E+02 n/a (ambient pressure) consistent range 11.5 284.65 n/a 12.24 285.39 n/a 12.24 285.39 n/a 11.5 284.65 n/a No info. #VALUE! n/a No info. #VALUE! n/a 285.4 285.40 n/a 11.5 284.65 n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a 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) Average 1.96E+00 n/a 1.98E+00 n/a 1.97E+00 n/a Insert Values n/a Insert Values n/a Insert Values n/a Insert Values n/a 1.96E+00 n/a 1.96 1.96 n/a 1.98 1.98 n/a 1.96 1.96 n/a No info. No info. n/a No info. No info. n/a No info. No info. n/a No info. No info. n/a 1.96 1.96 n/a n/a n/a 2.02 2.02 n/a n/a n/a n/a n/a n/a n/a n/a 1.94 1.94 n/a n/a n/a n/a n/a n/a Log Octanol - Water central value from Dimensionless n/a 1.97 n/a n/a n/a 1.96 1.96 n/a n/a n/a n/a n/a n/a Coefficient consistent range n/a n/a 1.96 1.96 n/a n/a n/a n/a n/a n/a n/a n/a 1.98 1.98 n/a n/a 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 1.96 1.96 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 cm3 mol-1 cm3 mol-1 Ref. Temp (C) Molar Volume cm3 mol-1 n/a 126 n/a Single value selected n/a n/a n/a n/a n/a n/a (Le Bas method) Average 1.26E+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 125.6 125.60 n/a KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C) Enthalpy of Vaporisation at Normal Calculated value chosen - Average 4.74E+04 5.28E+04 5.74E+04 normal boiling point J Mol-1 47314.3483 4.73E+04 Chemical this is similar to range of n/a n/a n/a 47.4 47400 49.38 49380 n/a n/a n/a n/a n/a n/a n/a n/a n/a 59.7 59700 n/a n/a n/a Normal Normal Normal (EVNBP) Boiling Point reported values 47.4 47400 61.7 61700 Boiling Boiling Boiling 61.714 61714 61.8 61800 Point Point Point 46.28 46280 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 7.06E+02 n/a #VALUE! n/a 7.06E+02 n/a Insert Values n/a temperature K 708.6262944 7.09E+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 705.8 705.80 n/a No info. #VALUE! n/a 705.8 705.80 n/a n/a (ambient pressure) reported values n/a n/a 707.75 707.75 n/a n/a n/a n/a 705.15 705.15 n/a n/a Bar Atmosph Ref. Temp (C) Bar Atmosph Ref. Temp (C) Average 4.30E+01 - 4.46E+01 - 43.6 43.02985443 43.6 43.02985443 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 45.5963 45.00004935 n/a n/a n/a - 45.6 45.00370096 45.5456 44.95001234 - 45.6469 45.04998766 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 1.044E-05 10 Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Pa 8.537497517 10 Estimated from parameters above using Grain-Watson method Diffusion coefficient in air m 2 .s -1 7.13E-06 10 Estimated from parameters above using Wilkie-Lee method Diffusion coefficient in water m 2 .s -1 5.67E-10 10 Estimated from parameters above using Hayduk and Laudie method Organic carbon-water partition coefficient Log cm 3 .g -1 2.20 n/a Estimated from parameters above using equation in Table 2.12 of SR7 (Page 1 of 1) (EIC proforma 3-methylphenol.xls 28/08/2009)
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 4-Methylphenol CAS Number: 106-44-5 Assessor A: Mathew Rouge Assessor B: Gareth Wills Final Review: Panel/SF Date: Mar-09 Date: Apr-09 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 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. TDI oral Recommended TDIoral Units 100 ug.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- Confidence Basis Value Units UF UF description Study type 1.d-1 rating IPCS INCHEM http://inchem.org/ 1995 Mar-09 Acceptable Daily Intake for cresols 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 Not provided 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 Rats gavaged intraspecies variability and 10 for the daily with p- lack of a NOAEL cresol, o-cresol 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 0.1 mg/kg/d 100 No info. LOAEL 100 mg/kg/d 1000 10 for extrapolation from animals to chronic oral humans, 10 for human variability and study in female 10 for use of LOAEL mice (NTP,2008) USEPA Integrated Risk Information System (IRIS) Texas Commission on Environmental Quality http://epa.gov/iris/ http://www.tceq.state.tx.us/remediation/r rr.html Mar-09 n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a The Oral RfD for 4- methylphenol was withdrawn on 08/01/1991 as a result of further review. A new RfD summary is in preparation by the RfD/RfC Work Group. 2008 Mar-09 RfD 5 ug/kg bw/d 5 No info. NOAEL Not provided Not provided Not provided Not provided Not provided TDI inhal Recommended TDIinhal N/A Units ug.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- Confidence 1.d-1 rating Dutch National Institute for Public Health http://www.rivm.nl/en/ 2000 Mar-09 Tolerable 170 ug/m3 48.57 TCA is and the Environment (RIVM) Maximum concentration in air provisional Permissible Risk (MPR) levels (TCA) Basis Value Units UF UF description Study type Not provided 50 ug/kg/d Not provided Not provided No study US Agency for Toxic Substances and Disease Registry (ATSDR) 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 n/a (Page 1 of 4) (EIC proforma 4-methylphenol.xls 28/08/2009)
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