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: Bis(2-ethylhexyl)phthalate CAS Number: 117-81-7 Assessor A: Alison Pugh, Hyder Assessor B: Tim Rolfe, Enviros Final review: Panel/SF Chemical Formula: C24H38O4 Phase at Ambient Liquid Tempertaure Date: 02-Apr-09 Date: 30-Apr-09 Date: 26/08/2009 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 Henry's Law Constant (HLC) Pa m3 mol-1 n/a 1.11 25 Solubility (S) 10 oC where possible. (Use unit converter if source provides different units) mg/L n/a n/a 390.56 2.70E-01 n/a 20-25 All references No consistent range - Reported by Montogmery (most recent reference) and Howard and Mckay (Highest reasonable value). No consistet range - most resent LIDE and OECD resonable mid range value 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 390.54 n/a Insert Values n/a 390.557 n/a 390.56 n/a 390.57 n/a Insert Values n/a 390.5561 n/a 390.56 n/a 390.54 390.54 n/a n/a 390.557 390.557 n/a 390.56 390.56 n/a 390.57 390.57 n/a n/a 390.5561 390.5561 n/a 390.56 390.56 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 1.11E+00 25 Insert Values 25 1.67E-01 25 1.11E+00 25 Insert Values 25 Insert Values 25 3.64E-01 25 1.10E-05 1.11E+00 4.46E-02 0.0446 1.10E-05 1.114575 2.96E-07 0.03 1.114 1.114 4.37E-05 4.4279025 0.0304 0.0304 0.0263 0.0263 3.14 3.14 0.0042 0.0042 n/a n/a n/a 25 25 0.101 0.101 25 25 25 25 25 0.0041 0.0041 0.0297 0.0297 1.494 1.494 1.197 1.197 1.7324 1.7324 3.95 3.95 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-01 25 2.70E-02 1.02E-01 25 Insert Values 2.65E-01 25 Insert Values Insert Values 1.31E-01 25 3.00E-01 3.00E-01 2.70E-05 0.027 6.00E-01 6.00E-01 4.00E-01 4.00E-01 2.70E-01 2.70E-01 0.285 2.85E-01 0.041 4.10E-02 0.4 4.00E-01 100 1.00E+02 0.34 3.40E-01 0.3 3.00E-01 2.49 2.49E+00 0.3 3.00E-01 0.4 4.00E-01 0.4 4.00E-01 0.285 2.85E-01 0.003 3.00E-03 1.16 1.16E+00 0.47 4.70E-01 0.047 4.70E-02 0.36 3.60E-01 0.041 4.10E-02 0.3 3.00E-01 0.34 3.40E-01 25 0.27 2.70E-01 0.36 3.60E-01 0.633 6.33E-01 0.003 3.00E-03 0.0249 2.49E-02 0.017 1.70E-02 0.0019 1.90E-03 0.00285 2.85E-03 0.00024 2.40E-04 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 6.57E+02 n/a Mackay , Lide and NIST Average Insert Values n/a 6.57E+02 n/a 6.57E+02 n/a Insert Values n/a 6.60E+02 n/a Insert Values n/a 6.57E+02 n/a 6.58E+02 n/a n/a 384 657.15 n/a 384 657.15 n/a n/a 386.9 660.05 n/a n/a 657.2 657.20 n/a 385 658.15 n/a n/a n/a n/a n/a n/a n/a n/a 385 658.15 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 2.18E+02 n/a LIDE, MacKay, NIST and OECD Average 2.23E+02 n/a 2.18E+02 n/a 2.18E+02 n/a 3.20E+02 n/a 2.23E+02 n/a Insert Values n/a 2.18E+02 n/a 2.21E+02 n/a -50 223.15 n/a -55 218.15 n/a -55 218.15 n/a 47 320.15 n/a -55 218.15 n/a n/a 218.15 218.15 n/a -50 223.15 n/a n/a n/a n/a n/a -46 227.15 n/a n/a n/a -50 223.15 n/a n/a n/a n/a n/a n/a n/a n/a -55 218.15 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 5.63 n/a No consitent range - most recent value (Montgomery 2007) Average 5.11E+00 n/a Insert Values n/a 6.49E+00 n/a Insert Values n/a 5.63E+00 n/a Insert Values n/a Insert Values n/a 6.27E+00 n/a 5.11 5.11 n/a n/a 3.58 3.58 n/a n/a 4.2 4.20 n/a n/a n/a 5.11 5.11 n/a n/a n/a 4.2 4.20 n/a n/a 3.98 3.98 n/a n/a n/a 5.03 5.03 n/a n/a n/a 5.3 5.30 n/a n/a 5.11 5.11 n/a n/a n/a 7.5 7.50 n/a n/a n/a 8.73calc 8.73calc n/a n/a 5.03 5.03 n/a n/a n/a 7.45 7.45 n/a n/a n/a 5.11 5.11 n/a n/a 7.453 7.45 n/a n/a n/a n/a n/a n/a 7.86 7.86 n/a n/a 7.137 7.14 n/a n/a n/a n/a n/a n/a 5.03 5.03 n/a n/a 4.88 4.88 n/a n/a n/a n/a n/a n/a 9.64calc 9.64calc n/a n/a 7.27 7.27 n/a n/a n/a n/a n/a n/a 7.94 7.94 n/a n/a n/a n/a n/a n/a n/a n/a 7.8 7.80 n/a n/a n/a n/a n/a n/a n/a n/a 8.9 8.90 n/a n/a n/a n/a n/a n/a n/a n/a 7.453 7.45 n/a n/a n/a n/a n/a n/a n/a n/a 5.22 5.22 n/a n/a n/a n/a n/a n/a n/a n/a 7.86calc 7.86calc n/a n/a n/a n/a n/a n/a n/a n/a 9.68calc 9.68calc n/a n/a n/a n/a n/a n/a n/a n/a 7.137 7.14 n/a n/a n/a n/a n/a n/a n/a n/a 7.453 7.45 n/a n/a n/a n/a n/a n/a n/a n/a 7.88 7.88 n/a n/a n/a n/a n/a n/a Molar Volume (Le Bas method) cm3 mol-1 n/a 5.25E+02 n/a Single reference 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 5.25E+02 n/a 524.8 524.80 n/a n/a n/a Enthalpy of Vaporisation at normal boiling point (EVNBP) J Mol-1 69633.99982 69634 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 Insert Values 1.07E+05 Insert Values n/a n/a n/a 107.1 107100 n/a n/a n/a n/a n/a n/a n/a n/a n/a 105.9 105900 Normal Boiling Point Normal Boiling Point Normal Boiling Point n/a n/a n/a Chemical Critical Point temperature (ambient pressure) Critical Pressure K 805.439228 805.4 atm n/a Calculated value chosen - this is similar to range of reported values K K Ref. Temp (C) o C K Ref. Temp (C) K K Ref. Temp (C) o C K Ref. Temp (C) Average n/a n/a n/a 8.35E+02 n/a n/a n/a n/a Insert Values n/a n/a n/a n/a n/a n/a n/a Insert Values n/a Insert Values n/a 835 835.00 n/a n/a n/a n/a 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 1.06E+01 Insert Values Calculated value chosen - 10.7 10.560079 11.60198536 11.60 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 n/a n/a n/a n/a n/a n/a reported values Calcuated parameters for input to CLEA model (UPDATED FROM THE SPREADSHEET TOOL) Property Units Calculated Value Ref. Temp (C) Rationale Property Units Air-water partition coefficient at ambient soil temperature cm 3 .cm -3 3.899E-05 10 Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Calculated Value Pa 0.00010884 10 Ref. Temp (C) Rationale Property Units Estimated from parameters above using Grain-Watson method Diffusion coefficient in air Calculated Value m 2 .s -1 3.24E-06 10 Ref. Temp (C) Rationale Property Units Estimated from parameters above using Wilkie-Lee method Diffusion coefficient in water Calculated Value m 2 .s -1 2.44E-10 10 Ref. Temp (C) Rationale Property Units Estimated from parameters above using Hayduk and Laudie method Organic carbon-water partition coefficient Calculated Value Ref. Temp (C) Log cm 3 .g -1 3.74 n/a Rationale Estimated from parameters above using equation in Table 2.12 of SR7 Page 1 of 1 EIC_proforma_bis_ethylhexyl_phthalate.xls26/08/2009
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 Bromobenzene CAS Number: 108-86-1 Assessor A: Simon Clennell-Jones (WSP) Assessor B: David Gallagher (ERM) Final review: Panel/SF Date 19/05/2009 Date 20/05/2009 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 No No No No Unclassified by IARC or USEPA. Toxicological data suggests it is unlikely to be a carcinogen - TDIoral applied to oral and dermal routes Yes Apply TDIinh to exposure routes Apply IDinh to exposure routes No No Yes No No No Unclassified by IARC or USEPA. Toxicological data suggests it is unlikely to be a carcinogen- TDIinh applied to inhalation routes TDI oral Recommended TDIoral Units 24 μg/kg.bw/day Justification USEPA PPRTV which is also the reference used by PRG region 9 and RAIS. More recent draft US EPA toxicological review for bromobenzene gives lower draft RfD but this has not been used due to DRAFT status. Organisation Web Link Last Updated Date Web Checked Health criteria type Value Initial Units CLEA units ug.kg-1.d-1 Confidence rating Food Standards Agency (FSA) http://www.food.gov.uk/ 12/05/2009 12/05/2009 Basis Value Units UF UF description Committee on the Carcinogenicity of Chemicals in Food, Consumer Products and the Environment (COC) http://www.advisorybodies.doh.gov.uk/coc/ index.htm NR 12/05/2009 Committee on the Mutagenicity of Chemicals in Food, Consumer Products and the Environment (COM) http://www.advisorybodies.doh.gov.uk/com NR 12/05/2009 Committee on the Toxicity of Chemicals in Food, Consumer Products and the Environment (COT) http://cot.food.gov.uk/ NR 12/05/2009 Committee on the Medical Effects of Air Pollutants (COMEAP) http://www.advisorybodies.doh.gov.uk/com eap/index.htm 17/10/2008 12/05/2009 International Agency for Research on Cancer (IARC) http://inchem.org/pages/iarc.html NR 12/05/2009 IPCS INCHEM http://inchem.org/ NR 13/05/2009 IPCS concise International Chemical Assessment Documents (CICADs) http://inchem.org/pages/cicads.html NR 13/05/2009 Page 1 of 4 EIC proforma bromobenzene.xls28/08/2009
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1,3,5-Trimethylbenzene CAS 108-67-8
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