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where POC and DOC are the particulate and dissolved organic carbon concentrations (kg•L -1 ) in dilution water, respectively. For the BCF values presented in the subsequent tables, a DOC value of 2 mg/L and a POC of 0 mg/L are assumed which corresponds to the acceptable concentration of total organic carbon that is specified in the OECD 305 bioconcentration test guideline. Since DOC has a lower affinity than POC, these assumptions are expected to provide a conservative basis for evaluating bioavailability of hydrocarbons in clean lab water relative to natural waters. 4.1 Normal Paraffins Bioconcentration factor predictions for n-paraffins obtained using the regression method (Figure 21) are above the B criterion of 2000 for the C14 n-paraffin, tetradecane. When biotransformation is incorporated to the model, none of the predicted n-paraffin BCFs are above 2000 (Figure 22). Dietary BCF values, which are typically more conservative than aqueous BCF values, are above the criterion for C9, and C12-C14 (Table 11). In contrast, aqueous BCF test data in the same carbon range are all below the criterion (Figure 23). The elevated BCF prediction for tetradecane is confirmed by the BMF, which is near 1 (Figure 24). It can be concluded that based on the available data, only a C13 and C14 n- paraffin have a BCF greater than 2000, and no n-paraffin has a BCF greater than 5000 (vB criterion). Thus the C13 and C14 n-paraffins may fulfill the B criterion but not the vB criterion. 10000 BCF (regression) 1000 100 10 n-Paraffins B vB 1 0 5 10 15 20 25 30 35 40 Carbon Number Figure 21. Predicted fish BCFs for n- paraffins using the regression-based approach in BCFBAF. B – 2000, vB - 5000 30
10000 BCF (Arnot) 1000 100 10 1 n-Paraffins B vB 0 0 5 10 15 20 25 30 35 40 Carbon Number Figure 22. Predicted fish BCFs for n-paraffins using Arnot’s equations incorporating metabolism (Arnot and Gobas 2003). B – 2000, vB - 5000 Hydrocarbon C BMF BCF (Arnot) Dietary BCF Aqueous BCF Species Reference n-nonane 9 0.128 666 2531 RT EMBSI, 2001a n-dodecane 12 0.224 732 4408 RT EMBSI, 2001a 12 0.041 732 773 RT EMBSI, 2005e 732 400 FHM Tolls and v Dijk , 2002 n-tridecane 13 0.27 640 3210 RT EMBSI, 2007a n-tetradecane 14 1.07 415 4231 RT EMBSI, 2006a n-pentadecane 15 203 20 C CITI, 1992 n-hexadecane 16 0.485 90 756 RT EMBSI, 2001a 90 46 C CITI, 1992 n-hexadecane (deuterated) 16 0.653 90 778 RT EMBSI, 2005a Table 11. Experimentally derived dietary and aqueous bioaccumulation data for n- paraffins. BCF (Arnot) is the predicted BCF using Arnot’s equations incorporating metabolism (Arnot and Gobas 2003). RT: rainbow trout; FHM: fathead minnow; C: carp. Bold blue entries represent BCF values between the B criterion (2000) and the vB criterion (5000). 31
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Gas Oils (Vacuum) 4 DNEL (inhalatio
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Industrial - Tabletting, CS100 Indo
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Combined Professional - Manual spra
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Industrial - Bulk transfers CS14 Da
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Professional - Maintenance and CS77
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Note: differentiated Industrial -SU
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Professional - Treatment and dispos
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Industrial - operation of open CS16
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Page 145 and 146: Gas Oils (Vacuum) 4 DNEL (inhalatio
Page 147 and 148: Industrial - Tabletting, CS100 Indo
Page 149 and 150: Combined Professional - Manual spra
Page 151 and 152: Industrial - Bulk transfers CS14 Da
Page 153 and 154: Professional - Maintenance and CS77
Page 155 and 156: Note: differentiated Industrial -SU
Page 157 and 158: Professional - Treatment and dispos
Page 159 and 160: Industrial - operation of open CS16
Page 161 and 162: Vacuum Gas Oils, Hydrocracked Gas O
Page 163 and 164: Vacuum Gas Oils, Hydrocracked Gas O
Page 165 and 166: This tool is provided for informati
Page 167 and 168: An Evaluation of the Persistence, B
Page 169 and 170: Table of Contents Executive Summary
Page 171 and 172: 2.0 Outline of PBT/vPvB Assessment
Page 173 and 174: 3.0 Persistence Assessment of Petro
Page 175 and 176: 100.0 Half-life predicted (days) 10
Page 177 and 178: 2,3-dimethylheptane 9 7.7 6.2 7.4 2
Page 179 and 180: ioHCwin half-life (days) 10000.0 10
Page 181 and 182: criterion. It can be concluded that
Page 185 and 186: Hydrocarbon C nr BioHCwin Predicted
Page 187 and 188: ioHCwin half-life (days) 1000000.0
Page 191 and 192: Hydrocarbon C nr BioHCwin Predicted
Page 193 and 194: enzo[a]pyrene 20 421.6 16.5 Table 1
Page 195: (see Appendix 2). Since BCF predict
Page 199 and 200: exhibit BMFs near unity (Figure 28)
Page 201 and 202: 2,2,4,4,6,8,8- heptamethyl nonane 1
Page 203 and 204: Hydrocarbon C BMF BCF (Arnot) Dieta
Page 205 and 206: BCF (regression) 100000 10000 1000
Page 207 and 208: 4.5 Polynaphthenic hydrocarbons Reg
Page 209 and 210: Experimental BMF 10 1 Polynaphth. D
Page 211 and 212: enzene n-octylbenzene 14 0.034 403
Page 213 and 214: 10000 1000 BCF (Arnot) 100 10 1 NMA
Page 215 and 216: and appears to be an outlier. This
Page 217 and 218: 4-ethylbiphenyl 14 863 1039 C Yakat
Page 219 and 220: 100000 BCF (regression) 10000 1000
Page 221 and 222: 10 Experimental BMF 1 0.1 NDiAr Die
Page 223 and 224: Hydrocarbon C BMF Arnot BCF Dietary
Page 225 and 226: Hydrocarbon C BMF Arnot BCF Dietary
Page 227 and 228: Acenaphthene Acenaphthylene Benz(a)
Page 229 and 230: 5.0 Summary of Persistence and Bioa
Page 231 and 232: lower water solubility, it is possi
Page 233 and 234: properties of petroleum hydrocarbon
Page 235 and 236: 8.0 References Anonymous (2004). Fi
Page 237 and 238: EMBSI (2007c). Fish, dietary bioacc
Page 239 and 240: Prince RC, Walters CC. (2007). Biod
Page 241 and 242: Appendix 1. Hydrocarbon structures
Page 243 and 244: iP 14 2,4,10-Trimethylundecane CC(C
Page 245 and 246: MN 7 1,2-Dimethylcyclopentane CC1C(
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MN 14 n-Nonylcyclopentane CCCCCCCCC
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MN 29 MN 29 MN 30 n-Tetracosylcyclo
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hexahydroindane DN 20 2,4-dimethylo
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PN 27 Phenanthrene 2,6-dimethylhept
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MAr 13 1-Methyl-3-hexylbenzene Cc1c
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NMAr 12 n-Propylindan c1ccc2CC(CCC)
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NMAr 24 c1cc(CC(C)CCCC(C)CCCCC)c2CC
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NMAr 29 NMAr 29 NMAr 29 NMAr 29 NMA
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DAr 16 2-Hexylnaphthalene CCCCCCc1c
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NDAr 16 n-Butylacenaphthene c12cccc
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NDAr 26 Dimethyloctyl-1,2,3,6,7,8-
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PAr 19 Ethylbenzo(a)fluorene C3c1cc
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PAr 22 n-Pentylbenzo(a)fluorene C3c
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PAr 28 Isohexyl-octadecahydro-picen
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Appendix 3. CONCAWE Position Paper
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probabilities are adjusted to best
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1.2.2 OASIS LMC Models: Toxicologic
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environmental chemicals (database o
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dihydrodiol. These dihydroxylated i
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Table 1 : PBT assessment of C15 str
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1: The following structures were pr
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Dimitrov SD, Dimitrova N, Mekenyan
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hydrocarbons and azaarenes original
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Verhaar HJM, van Leeuwen CJ, Hermen
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CONCAWE AQUATIC TOXICITY PREDICTION
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CONTENTS (Continued) Section Page 1
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1-2 The model predictions include m
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2-1 SECTION 2 2 SUMMARY OF COMPOSIT
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10-1 SECTION 10 10 SUMMARY OF COMPO
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