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4.7 Naphthenic Mono-Aromatics Regression method-based BCF predictions for naphthenic mono-aromatics (Figure 45) are above the B criterion of 2000 for structures ranging from C13 to C24. When biotransformation is incorporated to the model, BCF predictions are above 2000 for a few C14 and C17 structures (Figure 46). Some aqueous and dietary BCFs are above 2000 in the C13-C18 range, although none of these values exceed 5000 (Table 17). Experimental BMFs derived from dietary data are all below one, with the exception of one compound (3-phenyl bicyclohexyl), which has a BMF near unity but a dietary calculated BCF of only 300. It can be concluded that based on the available data, some naphthenic monoaromatic hydrocarbons in the C13 to C18 range may be bioaccumulative, but are not very bioaccumulative. 100000 10000 BCF (regression) 1000 100 10 NMAr B vB 1 5 10 15 20 25 30 35 Carbon Number Figure 45. Predicted fish BCFs for naphthenic mono-aromatic hydrocarbons using the regression-based approach in BCFBAF. NMAr: naphthenic monoaromatic. B – 2000, vB - 5000 46
10000 1000 BCF (Arnot) 100 10 1 NMAr B vB 0 5 10 15 20 25 30 35 Carbon Number Figure 46. Predicted fish BCFs for naphthenic mono-aromatic hydrocarbons using Arnot’s equations incorporating metabolism (Arnot and Gobas 2003). NMAr: naphthenic monoaromatic. B – 2000, vB - 5000 Hydrocarbon C BMF BCF Arnot Dietary BCF Aqueous BCF tetralin 10 103 230 C 1,2,3,4-tetrahydro-1,4- dimethyl naphthalene 12 0.158 800 1364 RT 1,1,6-trimethyl tetralin 13 0.328 1119 2381 RT 1,2,3,4,5,6,7,8- octahydrophenanthrene 2,2,5,7- tetramethyltetralin 1,1,3,3,5- pentamethylindan 14 0.128 239 3063 3418 RT 14 0.05 574 1171 RT 15 0.146 640 2347 RT 2-hexyl tetralin 16 0.013 605 939 RT dehydroabietine 17 0.053 1061 4097 RT 3-phenyl bicyclohexyl 18 1.09 252 300 RT m- dicyclohexylbenzene 18 0.07 265 607 1406 RT dodecahydrochrysene 18 0.17 82 1773 4588 RT Species Reference CITI, 1992 EMBSI, 2003 EMBSI, 2004a EMBSI, 2005e, 2009b EMBSI, 2006b EMBSI, 2006b EMBSI, 2006a EMBSI, 2006b EMBSI, 2005d EMBSI, 2008c EMBSI, 2008c Table 17. Experimentally derived dietary and aqueous bioaccumulation data for naphthenic monoaromatic hydrocarbons. BCF (Arnot) is the predicted BCF using Arnot’s equations incorporating metabolism (Arnot and Gobas 2003). RT: rainbow trout; C: 47
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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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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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Note: differentiated Industrial -SU
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Professional - Treatment and dispos
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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 and 196: (see Appendix 2). Since BCF predict
Page 197 and 198: 10000 BCF (Arnot) 1000 100 10 1 n-P
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: enzene n-octylbenzene 14 0.034 403
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(
Page 247 and 248: MN 14 n-Nonylcyclopentane CCCCCCCCC
Page 249 and 250: MN 29 MN 29 MN 30 n-Tetracosylcyclo
Page 251 and 252: hexahydroindane DN 20 2,4-dimethylo
Page 253 and 254: PN 27 Phenanthrene 2,6-dimethylhept
Page 255 and 256: MAr 13 1-Methyl-3-hexylbenzene Cc1c
Page 257 and 258: NMAr 12 n-Propylindan c1ccc2CC(CCC)
Page 259 and 260: NMAr 24 c1cc(CC(C)CCCC(C)CCCCC)c2CC
Page 261 and 262: 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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