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: Bromobenzene CAS Number: 108-86-1 Assessor A: Simon Clennell-Jones (WSP) Assessor B Alan Wilson (ERM) Final Review Panel/SF Chemical Formula: C 6H 5Br Phase at Ambient Liquid Tempertaure Date: 11.04.2009 Date: 18.05.2009 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 157.008 n/a Henry's Law Constant (HLC) Pa m3 mol-1 n/a 250 25 Consistent Value No Consistent Range, Most Recent Source used 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 Insert Values n/a 157.008 n/a 157.008 n/a 157.01 n/a 157.01 n/a Insert Values n/a 157.008 n/a Insert Values n/a n/a 157.008 157.008 n/a 157.008 157.008 n/a 157.01 157.01 n/a 157.01 157.01 n/a n/a 157.008 157.008 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 Insert Values 25 2.50E+02 25 2.19E+02 25 2.50E+02 25 Insert Values 25 2.08E+02 25 Insert Values 25 0.25 2.50E+02 211 211 0.00247 250.27275 0.54 1.86E+02 247 247 0.53 1.89E+02 210 210 0.47 2.13E+02 211 211 0.48 2.09E+02 25 25 25 n/a n/a n/a 0.41 2.45E+02 25 25 0.48 2.09E+02 25 25 Solubility (S) 10 °C where possible. (Use unit converter if source provides different units) mg/L n/a 388.04 10 Median Value From Consistent Range at 10°C 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 Insert Values 4.46E+02 25 3.88E+02 10 4.50E+02 30 4.06E+02 25 Insert Values 3.88E+02 10 Insert Values 0.387 387 389.57 3.90E+02 4.50E+02 4.50E+02 410 4.10E+02 387.8 3.88E+02 0.445 445 387 3.87E+02 445.91 4.46E+02 0.516 516 411.36 4.11E+02 361.12 3.61E+02 25 10 30 25 10 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 429.21 n/a Median Value From Consistent Value Average Insert Values n/a 4.29E+02 n/a 4.29E+02 n/a 4.29E+02 n/a 4.29E+02 n/a Insert Values n/a 4.29E+02 n/a Insert Values n/a n/a 156.06 429.21 n/a 156.06 429.21 n/a 156.2 429.35 n/a 155.86 429.01 n/a n/a 429.1 429.10 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 242.43 n/a Consistent Value Average Insert Values n/a 2.42E+02 n/a 2.42E+02 n/a 2.43E+02 n/a 2.42E+02 n/a Insert Values n/a Insert Values n/a Insert Values n/a n/a -30.72 242.43 n/a -30.72 242.43 n/a -30.6 242.55 n/a -30.8 242.35 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 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 2.99 n/a Median Value From Consistent Range Average Insert Values n/a 2.99E+00 n/a 3.02E+00 n/a Insert Values n/a 2.97E+00 n/a Insert Values n/a Insert Values n/a Insert Values n/a n/a 2.99 2.99 n/a 2.99 2.99 n/a n/a 2.75 2.75 n/a n/a n/a n/a n/a n/a 3.03 3.03 n/a n/a 3.15 3.15 n/a n/a n/a n/a n/a n/a 3.16 3.16 n/a n/a 3.01 3.01 n/a n/a n/a n/a n/a n/a 2.98 2.98 n/a n/a 2.99 2.99 n/a n/a n/a n/a n/a n/a 3.02 3.02 n/a n/a 2.96 2.96 n/a n/a n/a n/a n/a n/a 3.01 3.01 n/a n/a 2.98 2.98 n/a n/a n/a n/a n/a n/a 3.02 3.02 n/a n/a n/a n/a n/a n/a n/a n/a 3.01 3.01 n/a n/a n/a n/a n/a n/a n/a n/a 3.15 3.15 n/a n/a n/a n/a n/a n/a n/a 2.99 2.99 n/a n/a n/a n/a n/a n/a n/a 2.75 2.75 n/a n/a n/a n/a n/a n/a n/a 2.99 2.99 n/a n/a n/a n/a n/a n/a n/a n/a 3.14 3.14 n/a n/a n/a n/a n/a n/a Molar Volume (Le Bas method) cm3 mol-1 n/a 119.30 n/a Single 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 Average 1.19E+02 n/a 119.3 119.30 n/a n/a n/a Enthalpy of Vaporisation at normal boiling point (EVNBP) J Mol-1 38733.86676 38,734 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 3.77E+04 Insert Values 4.23E+04 n/a n/a n/a 37.692 37692 n/a n/a n/a n/a n/a n/a n/a n/a n/a 44.54 44540 Normal Normal Normal 44.54 44540 Boiling Boiling Boiling 37.9 37900 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 6.70E+02 n/a 6.70E+02 n/a Insert Values n/a Insert Values n/a temperature K 673.562201 673.6 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 670 670.00 n/a 397 670.15 n/a n/a 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 4.46E+01 Insert Values 45.2 44.60893166 Critical Pressure atm 50.45737116 50.46 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 0.031 10 Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Pa 180.364 10 Estimated from parameters above using Grain-Watson method Diffusion coefficient in air m 2 .s -1 7.21E-06 10 Estimated from parameters above using Wilkie-Lee method Diffusion coefficient in water m 2 .s -1 5.85E-10 10 Estimated from parameters above using Hayduk and Laudie method Organic carbon-water partition coefficient Log cm 3 .g -1 2.52 n/a Estimated from parameters above using equation in Table 2.12 of SR7 Page 1 of 1 EIC proforma bromobenzene.xls28/08/2009
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 Bromodichloromethane CAS Number: 75-27-4 Assessor A: J Brown - DTS Raeburn Assessor B: S Cole, URS Final review: Panel/SF Date 21/05/2009 Date 10/08/2009 Date 08/09/2009 Oral Dermal Inhalation Combine Oral and Inhalation TDIs Justification Apply TDIoral to exposure routes No No No Apply IDoral to exposure routes Apply TDIinh to exposure routes Yes Yes Yes No No No NR Group 2B - probably carcinogenic to humans. No inhalation data available. IDoral applied to oral, dermal and inhalation exposure. Apply IDinh to exposure routes No No No TDI oral Recommended TDIoral Units 3 ug.kg(BW) -1 .day -1 Justification More conservative and more recently derived RfD from USEPA Health Advisors preferred to older ATSDR and IRIS health criteria. Organisation Web Link Last Updated Date Web Checked Health criteria type Value Initial Units CLEA units ug.kg- 1.d-1 Drinking Water Inspectorate (DWI) http://www.dwi.gov.uk/ 30/03/2009 DWS 100 μg/l 2.86 Confidence rating Basis Value Units UF UF description US Agency for Toxic Substances and Disease Registry (ATSDR) Toxicological Profiles and Minimal Risk levels http://www.atsdr.cdc.gov/ Dec-89 15/05/2009 Chronic MRL 0.018 mg/kg/day 18 LOAEL 25 mg/kg/day 1000 10 for: extrapolation from animals to humans, special variation and use of a LOAEL. LOAEL also adjusted for intermittent exposure. USEPA Health Advisors http://www.epa.gov/waterscience/criteria/ drinking 15-11-2005 30/03/2009 Longer-term health advisory (HA) 2 mg/L 60 (assuming 70 kg adult that drinks 2 L water per day) BMDL10 18 mg/kg-bw/day 300 Uncertainty factor based on NAS/OW guidelines. This value includes a factor of 10 to protect sensitive human populations and a factor of 10 for extrapolation from animals to humans, and a factor of 3 to account for uncertainty regarding possible reproductive effects of bromodichloromethane in humans. HA quoted in L/day in document. USEPA Health Advisors http://www.epa.gov/waterscience/criteria/ drinking 15-11-2005 30/03/2009 RfD 0.003 mg/kg-day 3 BMDL10 0.8 mg/kg-bw/day 300 Uncertainty factor based on NAS/OW guidelines. This value includes a factor of 10 to protect sensitive human populations and a factor of 10 for extrapolation from animals to humans, and a factor of 3 to account for uncertainty regarding possible reproductive effects of bromodichloromethane in humans USEPA Integrated Risk Information System (IRIS) http://epa.gov/iris/ Mar-91 18/05/2009 RfD 0.02 mg/kg/day 20 medium LOAEL 17.9 mg/kg/day 1000 10 for: extrapolation from animals to humans, special variation and use of a LOAEL. LOAEL also adjusted for treatment schedule. Toxicology Data Network (Toxnet) http://toxnet.nlm.nih.gov/ May-09 18/05/2009 NOAEL 20.6 mg/kg/day TDI inhal Recommended TDIinhal Units n/a Justification No information available. Organisation Web Link Last Updated Date Web Checked Health criteria type Value Initial Units CLEA units ug.kg- 1.d-1 Confidence rating Basis Value Units UF UF description Page 1 of 6 EIC_proforma_bromodichloromethane 09/09/2009
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1,3,5-Trimethylbenzene CAS 108-67-8
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