Identifying Future Drinking Water Contaminants (1999) / Chapter Skim
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4 Past and Future Strategies for Sorting and Ranking Chemicals: Applications to the 1998 Drinking Water COntaminant Candidate List Chemicals
4 Past and Future Strategies for Sorting and Ranking Chemicals: Applications to the 1998 Drinking Water COntaminant Candidate List Chemicals
Pages 51-102
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in August 1999 and every five years thereafter, and identify five drinking water contaminants for potential regulation by August 2001 and every five years thereafter. The EPA published the Draft CCL on October 6, 1997 (EPA, 1997a)
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Setting Priorities for Drinking Water Contaminants (NRC, - - r ~ -- -~~ ~ ~ ~ ~ ~ ~ ~ ~o ~ ~ ~~ ~ ~~ J in' 19991. That report described the committee's review of 10 existing prioritization schemes, review of methods for assessing microbial pathogens, approaches used to develop the 1998 CCL, and suggestions for selecting candidates on the CCL for future action.
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Peer review is significant because it provides credibility to the chemical sorting and ranking process. Techniques Reviewed by the Committee on Drinking Water Contaminants The Committee on Drinking Water Contaminants reviewed 10 existing chemical prioritization schemes and considered their relevance for developing a prioritization scheme for drinking water contaminants (NRC, 19991.
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Schemes to Prioritize Contaminants for Specific Media The first scheme to prioritize contaminants for specific media ranks hazardous waste sites and is relevant to setting priorities for drinking water contaminants, because the contaminants at the hazardous waste sites determine the potential to cause adverse effects to human health or the environment. The second scheme ranks hazardous waste sites and the contaminants at hazardous waste sites for potential to cause adverse human health effects.
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within each category (e.g., within the aquatic toxicity category, chemicals could be ranked on fish LC50 values, aquatic invertebrate EC50 values, etc.~; 5. use of the relational database to produce output scenarios (e.g., chemicals with annual production volumes exceeding a certain threshold that have been measured in surface waters (the concentration of which is given)
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However, the ITC does review data on pesticides to facilitate 56 Identifying Future Drinking Water Contamirlarlts
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From the NEM page the user must select TOXLINE and then, under the "Apply Limits" section, choose "Toxic Substances Control Act Test Submissions." When the EPA publishes a Federal Register notice under TSCA Section 4(a) , manufacturers and processors of chemicals mentioned in that notice can provide TSCA Section 4(a)
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Using SuCCSES it was possible to assign the 1998 CCL chemicals to one of 17 SuCCSES classes (Table 4-4~. Organizing chemicals into SuCCSES classes is critical for estimating potential health or ecological effects of structurally related chemicals and developing or validating SARs and QSARs.
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Values, and Henry's Law Constant for 1998 CCL Chemicals The log Kow values, Koc values and Henry's Law constants for the 1998 CCL chemicals (arranged by SuCCSES classy are listed in Table 4-5. These three environmental fate parameters were selected to estimate the potential of chemicals to remain in drinking water.
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The three aliphatic halides that could persist for years (aidrin, dieldrin, and 60 Identifying Future Drinking Water Contaminants
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The first procedure, based on a chemical's mode of toxic action, was used in conjunction with SuCCSES classes to sort the 1998 CCL chemicals (See Table 4-101. Results from testing the acute toxicity of about 600 chemicals to fathead minnows were used to develop a computer-based expert system that predicts mode of toxic action based on chemical structure (Russom et al., 19971.
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Within the SuCCSES class of aliphatic halides, carcinogenicity concern levels can be used to sort aliphatic 62 Identifying Future Drinking Water Contaminants
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However, the use of expert opinions to predict the potential of chemicals containing specific substructures to cause adverse effects to human health or the environment is new and was developed as part of SuCCSES (Walker and Gray, 1999~. To illustrate how SuCCSES might be used to rank the 1998 CCL chemicals, three SuCCSES classes and their potential health effects were selected as examples: SuCCSES Class Potential Health Effects Nitroaromatics Halophenols Hydrazines Carcinogenicity Mutagenicity Other chronic effects Carcinogenicity Mutagenicity Other chronic effects Acute toxicity Membrane irritation Oncogenicity There are three nitroaromatics, two halophenols, and one hydrazine on the 1998 CCL (Table 4-4~.
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identify other structurally related chemicals with low bioconcentration, sorption, and evaporation potential that would contaminate drinking water and wildlife species and (2) identify wildlife species that are likely to be contaminated by structurally related chemicals with low bioconcentration, sorption, and evaporation potential that could serve as sentinel species to evaluate potential effects and contribute to the understanding of environmental-human health effects interactions.
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that have similar uses to I,1,2,2-tetrachIoroethane (See Table 4-14~. Fourth, consider the log Kow values, Koc values, and Henry's Law constants (environmental fate parameters that can be used to estimate if chemicals will remain in drinking water)
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1998a. Announcement of the Drinking Water Contaminant Candidate List; Notice.
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1999. Setting Priorities for Drinking Water Contaminants.
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C16:101-122. 68 Identifying Future Drinking Water Contamirlants
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Rank) > I Phased Testis Carcinogenicity Chemical 1 Chemical 2 Chemical 3 Assess Risk SAR/QSAR Development and Validation Past and Future Strategies for Sorting arid Ranking Chemicals 69
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trategiesforSortir~g arid Ranking Chemicals 71
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72 Identifying Future Drinking Water Contaminants
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CASNo T ChemicalName| Structure 000108-86- I Bromobenzene~ 000887-54-7 1 DCPAmono-acd 1 O Cl dezradate HO ~ NO Cl O | 002136-79-0 TDCPAdi-acidd~gradate | OH Cl Cl J~OH Cl O 000072-55-9 DDE C CI~CI Past and Future * trategies for Sorting and Ranking Chemicals 73
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CAS No. | Chemical Name | Structure 000333-41-5 1 Diazinon 1 S IN 000060-57-1 1 Dieldrin 1 Cl Cl 000298-04-4 1 Disulfoton 1 S= ~-S/ \S~ O\ 000330-54-1 Diuron Cl CI~N~ N\ 74 Identifying Future Drinking Water Contaminants
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C>`S #. Clanked bRune shmchu~ ~007439-96-5 I Manganese I An 000074-83-9 ~ Methyl bromld I Br-___ 001634-04-4 I D4ethyl-^bulyl'~er I (PROBE)
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CAS No. | Chemical Name | Structure ~ 000091-20-3 Naphthalene | 00098-95-3 Nitrobenzene ~ r 001610-18-0 1 Prometon 1N 1\N~N : /~ 1000121-82-4 1 RDX 1 1 O ~ ~ \\ 007440-23-5 Sodium ~ Na 014808-79-8 Sulfate 0 Past and Future Strategies for Sorting and Ranking Chemicals 77
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Cl:~N~:N~N 007440-62-2 Vanadium V 78 Identifying Future Drinking Water Contaminants
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orlir~g and Ranking Chemicals 79
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000330-55-2 Lauren 007439-96-5 Manganese 000074-83-9 Methyl bromide 001634-04-4 Methyl-t-butyl ether (MTBE) 051218-45-2 Metolachlor 021087-64-9 Metribuzin 002212-67-1 Colgate 000091 -20-3 Naphthalene 000098-95-3 Ni~obenzene 001610-18-0 Prometon 000121 -82-4 RDX 007440-23-5 Sodium 014808-79-8 Sulfate 005902-51-2 Terbacil 013071-79-9 Terbubos 80 Deferred Deferred Deferred Deferred Deferred Designated 1 Removed 12 Deferred Deferred Deferred Deferred Recommended 19 Designated 20 Removed 22 Deferred Deferred Deferred Designated Designated Removed Deferred Defected Deferred Deferred Deferred Deferred 42FR55026 10/12/77 48FR24443 6/01/83 51FR41417 11/14/86 52FR19020 5/20/87 53FR18196 5/20/88 35 59FR67596 12/29/94 42FR55026 10/12/77 47FR5456 2/05/82 Identifying Future Drinking Water Contamirlants
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Deferred 007440-62-2 Vanadium Deferred Past and Future Strategies for Stirling and Ranking Chemicals 81
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59 90 19 30 034256-82- 1 Acetochlor O O O O 000309-00-2 Aldrin 007429-90-5 Aluminum 007440-42-8 Boron 000108-86-1 Bromobenzene 000887-54-7 DCPA mono-acid degradate 002136-79-0 DCPA all-acid degradate 000072-55-9 DDE 000333-41-5 Diazinon 000060-57- 1 Dieldrin 000298-04-4 Disulfoton 82 12 12 J 25 29 6 6 7 9 O O O O O O O O 10 10 3 3 3 13 13 3 3 Identifying Future Drinking Water Contaminants
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of TSCATS En~ies TSCA Section 8(d) TSCA Section 4 References Studies References Studies 000330-54-1 Diuron 000759-94-4 EPTC (s-ethyl-dipropyl thio-carbamate)
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Chemical Name SuCCSES Class Use 034256-82- 1 Acetochlor Acetanilides Herbicide 051218-45-2 Metolachlor Acetanilides Herbicide 000060-57- 1 Dieldrin Aliphatic halides Insecticide 000074-83-9 Methyl bromide Aliphatic halides Organic synthesis, fumigant 000075-34-3 1,1-Dichloroethane Aliphatic halides Chemical intermediate 000079-34-5 1,1,2,2-Tetrachloroethane Aliphatic halides Solvent 000087 - 68 - 3 Hexach lorobutadiene 000142-28-9 1,3-Dichloropropane 000309-00-2 Aldrin 000542-75-6 1,3-Dichloropropene 000563-58-6 1,1-Dichloropropene 000594-20-7 2,2-Dichloropropane Aliphatic halides Aliphatic halides Aliphatic halides Aliphatic halides Aliphatic halides Aliphatic halides Unknown Chemical intermediate (no longer produced in U.S.) Unknown Insecticide Organic synthesis, soil fumigant Unknown 000072-55-9 DDE Aromatic halides Degradation product of DDT 000108-86-1 Bromobenzene Aromatic halides Solvent, organic synthesis 000887-54-7 DCPA mono-acid Aromatic halides Degradation product degradate of DCPA 002136-79-0 DCPA all-acid degradate 000091 -20-3 Naphthalene 000095-63-6 1,2,4-Trimethylbenzene 84 Aromatic halides Degradation product of DCPA Aromatic hydrocarbons Moth repellent, fungicide Aromatic hydrocarbons Dyes, pharmaceuticals Identifying Future Drinking Water Contamirlants
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000759-94-4 EPTC (s-ethyl-dipropylthio carbamate) Aromatic hydrocarbons Heat-transferring agent Carbamic acid esters Herbicide 007429-90-5 Aluminum Elements Numerous consumer/ industrial applications 007439-96-5 Manganese Elements Numerous industrial applications 007440-23-5 Sodium Elements Numerous applications 007440-42-8 Boron Elements Numerous consumer/ industrial applications 007440-62-2 Vanadium Elements Numerous industrial applications 001634-04-4 Methyl-t-butyl ether Ethers (MTBE)
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Triazines Herbicide 000330-54-1 Diuron Ureas Herbicide 000330-55-2 Linuron Ureas Herbicide 86 Identifying Future Drinking Water Contaminants
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Values and Henry's Law Constants for the 1998 CCL Chemicals Arranged by SuCCSES Classes Log Henry's Law Constant CAS No. Chemical Name K ~ ac (~ m3~)
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Chemical Name K~w Koc (atm m3/mole) Carbamic acid esters 000759-94-4 EPTC (s-ethyl-dipropylthio- 3.21 carbamate)
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TABLE 4-6 Scores and Criteria for Assigning Exposure Scores to Exposure Factors for Which Data Were Available and that are Relevant to the 1998 CCL Chemicals Exposure Factor Scores and Criteria for Assigning Exposure Scores +3 +2 +1 o Annual production volume (lbs.) Environmental persistence Years 100,000,000 10,000,000 1,000,000 Months Days Bioaccumulation potential >5 3 to 5 1 to 3 <1 (log Knew)
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Persistence Potential (log Kow) 000060-57- 1 Dieldrin 0 3 3 000074-83-9 Methyl bromide 2 000075-34-3 1,1-Dichloroethane O 000079-34-5 1,1,2,2-Tetrachloro ethane 000087-68-3 Hexachlorobutadiene O 000142-28-9 1,3-Dichloropropane 2 2 2 3 2 2 000309-00-2 Aldrin 0 3 3 000542-75-6 1,3-Dichloropropene 1 2 1 000563-58-6 1,1-Dichloropropene 1 2 000594-20-7 2,2-Dichloropropane 1 2 90 Identifying Future Drinking Water Contaminants
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E c E e 0 v_ V V a E E A 3 E a Oa ~a~ o o E ° 1/ ~ 5 3 it ° °~ ~L~ . ~c, O c: ~ ~O ._ ~.= O Past arid Future Strategies for Sorting and Ranking Chemicals
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TABLE 4-9 Biological Effects Scores for Aliphatic Halides from the 1998 CCL Chemicals CAS No. Chemical Name Acute Mutagenicity Carcinogenicity Ecotoxicity Toxicity 000060-57- 1 Dieldr~n +3 +2 0 +3 000074-83-9 Methyl bromide +2 +2 0 +2 000075-34-3 1,1-Dichloroethane +1 +1 +1 +2 000079-34-5 1,1,2,2-Tetrachloro- +2 +2 +2 +2 ethane 000087-68-3 Hexachlorobutadiene +2 +2 +1 +3 000142-28-9 1,3-Dichloropropane +1 +3 -2 +2 000309-00-2 Aldrin +3 +2 +2 +3 000542-75-6 1,3-Dichloropropene +2 +2 +3 +2 000563-58-6 1,1-Dichloropropene -1 +1 -1 -2 000594-20-7 2,2-Dichloropropane - 1 - 1 - 1 -2 92 Identifying Future Drinking Water Contaminants
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Carbamic acid esters 000759-94-4 EPTC (s-ethyl-dipropyl~iocarbamate) Nonpolar narcosis Nonpolar narcosis Neurotoxicant: Cyclodiene-type Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Reactivity: Alkylation or arylation reaction Nonpolar narcosis Neurotoxicant: Cyclodiene-type Reactivity: Alkylation or arylation reaction Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Past and Future Strategies for Sorting and Ranking Chemicals 93
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Nonpolar narcosis Reactivity: dinitroaromatic group Reactivity: dinitroaromatic group Uncoupler of oxidative phosphorylation Polar narcosis Organophosphate mediated acetylcholinesterase inhibition Organophosphate mediated acetylcholinesterase inhibition Organophosphate mediated acetylcholinesterase inhibition Iderltifying Future Drinking Water Contaminants
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002212-67-1 Ureas 000330-54-1 Diuron 000330-55-2 Linuron Organophosphate mediated acetylcholinesterase inhibition Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis Nonpolar narcosis *
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000759-94-4 EPTC Elements 007429-90-5 Aluminum 007439-96-5 Manganese 007440-23-5 Sodium 007440-42-8 Boron 007440-62-2 Vanadium 96 Carbamic acid esters (s-ethyl-dipropylthiocarbamate) Moderate + Data Moderate Low Low Moderate + Data Low Low Moderate Low Low Low Low Low to moderate Identifying Future Drinking Water Contaminants
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orting and Ranking Chemicals
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TABLE +11 Coped .
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trategies for Sorting and Ranking Chemicals 72 Gizzard 9 74 Brain Gizzard 0.014-0.05 16 161 0.32-3000
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. 100 Identifying Future Drinking Water Corltamirlants
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Uses CAS SBRTotal No. Chemical Machinery Polystyrene RubberRubber Varnish Uses 79-34-5 1,1,2,2- X X X X X Tetrachloro ethane 71-55-6 1,1,1- X X Trichloro ethane s X X X 15 56-23-5 Carbon X X X 9 tetrachloride 79-00-5 1,1,2- X X X 3 Trichloro ethane TABLE 4-14 Production, Use, and Environmental Release Volumes for Aliphatic Halides (not on the 1998 CCL)
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Henry's Law Constant Chemical Name Log Kow Koc (atm m3/mol) 1,1,2,2- 2.39 107 3.67E-04 Tetrachloroethane 1, 1,1-Trichloroethane 2.49 85 1.72E-02 Carbon tetrachloride 2.83 71 2.76E-02 1,1,2-Trichloroethane 1.89 97 8.24E-04 102 Identifying Future Drinking Water Contaminants
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