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: 1,3,5-Trimethylbenzene (MesCAS Number: 108-67-8 Assessor A: Mathew Rouge Assessor B: Gareth Wills Final Review: Panel/SF Chemical Formula: C9H12 Phase at Ambient Liquid 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 120.191 n/a Henry's Law Constant (HLC) Pa m3 mol-1 n/a 7.81E+02 25 all values the same Values not in consistent range, therefore value taken from most recent reference 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 #VALUE! n/a 120.191 n/a 120.191 n/a 120.19 n/a 120.19 n/a #VALUE! n/a 120.1916 n/a 120.2 n/a No info. #VALUE! n/a 120.191 120.191 n/a 120.191 120.191 n/a 120.19 120.19 n/a 120.19 120.19 n/a No info. #VALUE! n/a 120.1916 120.1916 n/a 120.2 120.2 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 #VALUE! 25 7.81E+02 25 7.56E+02 25 4.92E+02 22 #VALUE! 25 7.07E+02 25 #VALUE! 25 No info. #VALUE! 7.81E-01 7.81E+02 6.82E+02 682 5.00E-03 506.625 No info. #VALUE! 1.20E-01 8.36E+02 No info. #VALUE! 849 849 0.00471 477.24075 0.14 7.16E+02 803 803 0.17 5.90E+02 704 704 25 25 25 n/a n/a n/a 22 25 25 25 Solubility (S) 10 oC where possible. (Use unit converter if source provides different units) mg/L n/a 5.00E+01 25 Values not in consistent range, therefore value taken from most recent reference 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 #VALUE! 5.00E+01 25 6.10E+01 25 #VALUE! 5.90E+01 25 #VALUE! 4.92E+01 25 #VALUE! No info. #VALUE! 5.00E-02 50 1.73E+02 1.73E+02 No info. #VALUE! 4.82E+01 4.82E+01 No info. #VALUE! 4.82E+01 4.82E+01 No info. #VALUE! 97 9.70E+01 76.92 7.69E+01 49.5 4.95E+01 39.4 3.94E+01 97.7 9.77E+01 50 5.00E+01 48.2 4.82E+01 49.88 4.99E+01 25 49.5 4.95E+01 39.42 3.94E+01 25 49.5 4.95E+01 25 25 50 5.00E+01 48.9 4.89E+01 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 4.38E+02 n/a Central value from consistent range selected Average #VALUE! n/a 4.38E+02 n/a 4.38E+02 n/a 4.38E+02 n/a 4.38E+02 n/a #VALUE! n/a 4.38E+02 n/a 4.38E+02 n/a No info. #VALUE! n/a 164.74 437.89 n/a 164.74 437.89 n/a 164.7 437.85 n/a 164.55 437.70 n/a No info. #VALUE! n/a 437.8 437.80 n/a 165 438.15 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 (ambient pressure) K n/a 2.28E+02 n/a Central value from consistent range selected Average #VALUE! n/a 2.28E+02 n/a 2.28E+02 n/a 2.28E+02 n/a 2.24E+02 n/a #VALUE! n/a 2.28E+02 n/a 2.28E+02 n/a No info. #VALUE! n/a -44.72 228.43 n/a -44.7 228.45 n/a -44.8 228.35 n/a -44.7 228.45 n/a No info. #VALUE! n/a 228.42 228.42 n/a -45 228.15 n/a n/a n/a n/a n/a -52.7 220.45 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 3.42 n/a Values not in consistent range, therefore value taken from most recent reference Average Insert Values n/a 3.42E+00 n/a 3.60E+00 n/a Insert Values n/a 3.62E+00 n/a Insert Values n/a Insert Values n/a 3.42E+00 n/a No info. No info. n/a 3.42 3.42 n/a 3.42 3.42 n/a No info. No info. n/a 3.41 3.41 n/a No info. No info. n/a No info. No info. n/a 3.42 3.42 n/a n/a n/a 3.78 3.78 n/a n/a 3.42 3.42 n/a n/a n/a n/a n/a n/a 3.82 3.82 n/a n/a 3.78 3.78 n/a n/a n/a n/a n/a n/a 3.42 3.42 n/a n/a 3.88 3.88 n/a n/a n/a n/a n/a n/a 3.89 3.89 n/a n/a n/a n/a n/a n/a n/a n/a 3.42 3.42 n/a n/a n/a n/a n/a n/a n/a n/a 3.42 3.42 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 1.63E+02 n/a single value selected 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 1.63E+02 n/a 162.6 162.60 n/a n/a n/a Enthalpy of Vaporisation at normal boiling point (EVNBP) J Mol-1 38636.56499 3.86E+04 Normal Chemical Boiling Point Calculated value chosen KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 KJ mol-1 J Mol-1 Ref. Temp (C) Average 4.75E+04 4.61E+04 4.75E+04 n/a n/a n/a 47.5 47500 47.48 47480 n/a n/a n/a n/a n/a n/a n/a n/a n/a 47.51 47510 Normal Normal 39.04 39040 47.5 47500 Boiling Boiling 51.85 51850 47.47 47470 Point Point Normal Boiling Point n/a n/a n/a Chemical Critical Point temperature (ambient pressure) K 646.8534567 6.47E+02 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 6.37E+02 n/a #VALUE! n/a 6.39E+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 637.3 637.30 n/a No info. #VALUE! n/a 639 639.00 n/a No info. #VALUE! 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 3.09E+01 3.15E+01 31.27 30.86109055 31.3 30.89069825 Critical Pressure atm 31.77087119 3.18E+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 31.62 31.20651369 n/a n/a n/a - 32.55 32.12435233 31.27 30.86109055 32.6 32.17369849 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 1.194E-01 10 Estimated from parameters above using Clapyron relationship or direct calculation Vapour pressure at ambient soil temperature Pa 139.1267724 10 Estimated from parameters above using Grain-Watson method Diffusion coefficient in air m 2 .s -1 6.45E-06 10 Estimated from parameters above using Wilkie-Lee method Diffusion coefficient in water m 2 .s -1 4.87E-10 10 Estimated from parameters above using Hayduk and Laudie method Organic carbon-water partition coefficient Log cm 3 .g -1 2.87 n/a Estimated from parameters above using equation in Table 2.12 of SR7 (Page 1 of 1) (EIC proforma 1,3,5-trimethylbenzene.xls 28/08/2009)
www.esdat.net Esdat Environmental Database Management Software +61 2 8875 7948 1-Methylnaphthalene CAS Number: 90-12-0 Assessor A: Andreas Neymeyer, Buro Happold Assessor B: Mike Rogers, OPUS JOYNES PIKE Ltd Final review: Panel/SF Date 16/04/2009 Date 16/04/2009 Date 28/08/2009 Oral Dermal Inhalation Combine Oral and Inhalation TDIs Justification Apply TDIoral to exposure routes Apply IDoral to exposure routes No No No Yes Yes No NR Chronic dietary studies with 1- or 2- methylnaphthalene provided limited evidence for carcinogenicity. Recommended IDoral is lower than TDIoral, therefore Idoral adopted as oral HCV and applied to oral and dermal exposure. Apply TDIinh to exposure routes Apply IDinh to exposure routes No No No No No No No inhalation route health criteria value. Likely to be similar to naphthalene, i.e. inhalation orders of magnitude more toxic than oral TDI oral Recommended TDIoral Units 7 ug.kg-1.d-1 Justification USEPA PPRTV concluded that there was insufficient data to derive a provisional RfD but derived a provisional toxicity screening value that may be of limited use to risk assessors. Despite these uncertainties, the facts that (1) the PPRTV report is more recent than the ATSDR report, (2) the PPRTV screening value is more conservative and (3) the PPRTV screening value is closer to the EIC proposed HCVoral for 2-methyl naphthalene , results in the PPRTV screening value being recommended as the TDIoral. Organisation Web Link Last Updated Date Web Checked Health criteria type Value Initial Units CLEA units ug.kg- 1.d-1 US EPA Provisional Peer Reviewed Toxicity http://rais.ornl.gov/tox/unauthorized.shtml Jul-09 15/07/2009 Provisional toxicity 0.007 mg/kg/day 7 LOAEL 71.6 mg/kg body Values (PPRTV) screening value weight per day Confidence rating Basis Value Units UF UF description Study type 10000 Composite uncertainty factor (UF) of 10,000, which includes factors of 10 for extrapolating from a LOAEL to a NOAEL, 10 for interspecies extrapolation, 10 for interindividual variability, and 10 for database deficiencies. animal (mice) US Agency for Toxic Substances and Disease Registry (ATSDR) Toxicological Profiles and Minimal Risk levels http://www.atsdr.cdc.gov/ Aug-05 27/03/2009 MRL (substancespecific Minimal Risk Level) 0.07 mg/kg/day 70 LOAEL 71.6 mg/kg body weight per day 1000 10 for using a LOAEL, 10 for extrapolating from animals to humans, and 10 for human variability animal (mice) TDI inhal Recommended TDIinhal n/a Units Justification No inhalation route health criteria value. [The reasonable presumption of 1-methylnaphtalene to be similar to naphthalene (regarding its chemical and toxicological properties) would suggest risks from 1-methylnaphtalene to be dominated by the inhalation pathway. However, no human or animal data are available regarding the toxicity of 1-methylnaphthalene following repeated inhalation exposure.] 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 Study type US EPA Provisional Peer Reviewed Toxicity Values (PPRTV) http://rais.ornl.gov/tox/unauthorized.shtml No human or animal data are available regarding the toxicity of 1-methylnaphthalene following repeated inhalation exposure, thus precluding the derivation of provisional subchronic or chronic RfC values for 1-methylnaphthalene. ID oral Recommended IDoral Units 2.3 ug.kg-1.d-1 Justification Derived from BMDL10 for incidence of lung adenomas and carcinomas from Mutata et al 1993 study divided by uncertainty factor of 10,000, as recommended in Environment Agency SC050021/SR2 report, 2009 Organisation Web Link Last Updated Date Web Checked Non threshold effects Basis Health criteria type Value Units Confidence rating Basis Study type US EPA Provisional Peer Reviewed Toxicity Values (PPRTV) http://rais.ornl.gov/tox/unauthorized.shtml Jan-08 15/07/2009 Cancer risk Lung adenomas or carcinomas observed during 81-week mice study Slope factor 0.029 (mg/kg/d) -1 Calculated based on a derived BMDL10 of 22.91 mg/kg/d animal (mice) ID inhal Recommended IDinhal Units n/a Justification Chronic dietary studies with 1- or 2-methylnaphthalene provided limited evidence for carcinogenicity. Organisation Web Link Last Updated Date Web Checked Non threshold effects Basis Health criteria type Value Units Confidence rating Basis Study type US EPA Provisional Peer Reviewed Toxicity Values (PPRTV) http://rais.ornl.gov/tox/unauthorized.shtml There are no appropriate human or animal data from from which to derive an inhalation unit risk for 1-methylnaphthalene Page 1 of 2 EIC proforma 1-methylnaphthalene.xls 28/08/2009
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