1、Designation: E1242 97 (Reapproved 2014)Standard Practice forUsing Octanol-Water Partition Coefficient to EstimateMedian Lethal Concentrations for Fish Due to Narcosis1This standard is issued under the fixed designation E1242; the number immediately following the designation indicates the year oforig
2、inal adoption or, in the case of revision, the year of last revision. A number in parentheses indicates the year of last reapproval. Asuperscript epsilon () indicates an editorial change since the last revision or reapproval.1. Scope1.1 This practice covers a procedure for estimating thefathead minn
3、ow (Pimephales promelas) 96-h LC50 of nonre-active (that is, covalently bonded without unsaturated residues)and nonelectrolytic (that is, require vigorous reagents tofacilitate substitution, addition, replacement reactions and arenon-ionic, non-dissociating in aqueous solutions) organicchemicals act
4、ing solely by narcosis, also referred to as Meyer-Overton toxicity relationship.21.2 This procedure is accurate for organic chemicals that aretoxic due to narcosis and are non-reactive and non-electrolytic.Examples of appropriate chemicals are: alcohols, ketones,ethers, simple halogenated aliphatics
5、, aromatics, and aliphaticsubstituted aromatics. It is not appropriate for chemicals whosestructures include a potential toxiphore (that structural compo-nent of a chemical molecule that has been identified to showmammalian toxicity, for example CN is known to be reponsiblefor inactivation of enzyme
6、s, NO2for decoupling of oxidativephosphorylation, both leading to mammalian toxicity). Ex-amples of inappropriate chemicals are: carbamates,organophosphates, phenols, beta-gamma unsaturated alcohols,electrophiles, and quaternary ammonium salts.2. Referenced Documents2.1 ASTM Standards:3E729 Guide fo
7、r Conducting Acute Toxicity Tests on TestMaterials with Fishes, Macroinvertebrates, and Amphib-iansE943 Terminology Relating to Biological Effects and Envi-ronmental FateE1023 Guide for Assessing the Hazard of a Material toAquatic Organisms and Their UsesE1147 Test Method for Partition Coefficient (
8、N-Octanol/Water) Estimation by Liquid Chromatography (With-drawn 2013)43. Terminology3.1 Definitions:3.1.1 narcosisa reversible state of stupor,unconsciousness, or arrested activity produced by the influenceof chemicals on critical sites within membranes or by disrupt-ing the normal functioning of c
9、ertain proteins by means ofnonspecific binding of organic chemical(s) to hydrophobicsites. Death results if exposure is not terminated after a lengthof time which varies with concentration.3.1.2 octanol-water partition coeffcient (Kow)referred toas P in some literature.3.1.3 toxiphorea chemical stru
10、cture substituent group thatwhen present gives rise to an adverse effect in exposedorganisms.3.2 For definitions of other terms used in this standard, referto Guide E729, Terminology E943, and Guide E1023.4. Summary of Practice4.1 The hydrophobicity of a non-reactive and non-electrolytic organic che
11、mical as quantified by log of theoctanol-water partition coefficient is substituted into an experi-mentally derived equation and an approximate 96-h log LC50for fathead minnow is calculated. This value is a maximumvalue. The actual LC50 could be lower, but should not behigher.5. Significance and Use
12、5.1 This procedure can be used to limit the need forscreening tests prior to performing a test for estimating theLC50 of a non-reactive and non-electrolytic chemical to thefathead minnow. By eliminating the screening test, fewer fishneed be tested. The time used for preparing and performing the1This
13、 practice is under the jurisdiction of ASTM Committee E50 on Environ-mental Assessment, Risk Management and Corrective Action and is the directresponsibility of Subcommittee E50.47 on Biological Effects and EnvironmentalFate.Current edition approved Oct. 1, 2014. Published December 2014. Originallya
14、pproved in 1988. Last previous edition approved in 2008 as E1242 97(2008).DOI: 10.1520/E1242-97R14.2Lipnick, Robert L., “Validation and Extension of Fish Toxicity QSARs andInterspecies Comparisons for Certain Classes of Organic Chemicals,” QSAR inToxicology and Xenobiochemistry, Elsevier, 1985.3For
15、referenced ASTM standards, visit the ASTM website, www.astm.org, orcontact ASTM Customer Service at serviceastm.org. For Annual Book of ASTMStandards volume information, refer to the standards Document Summary page onthe ASTM website.4The last approved version of this historical standard is referenc
16、ed onwww.astm.org.Copyright ASTM International, 100 Barr Harbor Drive, PO Box C700, West Conshohocken, PA 19428-2959. United States1screening test can also be saved. The value obtained in thisprocedure can be used as the preliminary estimate of the LC50in a full-scale test.5.2 Estimates can be used
17、to set testing priority of groups ofnon-reactive and non-electrolytic chemicals.5.3 If the estimated value is more than 0.3 times theexperimental value, the mechanism of action is probablynarcosis. If less, the effect concentration is considered to reflecta different mechanism of action.5.4 This pra
18、ctice estimates a maximum LC50, that is,non-reactive and non-electrolytic chemicals are at least as toxicas the practice predicts, but may have a lower LC50 if actingby a more specific mechanism. Data on a chemical indicatinga lower toxicity than predicted should be considered suspect oran artifact
19、because of limited solubility of the test material.6. Procedure6.1 Review other toxicity data on the test material to see ifthe test material is likely to be acutely toxic by a mechanismother than narcosis. Also, review the structure of the testmaterial for toxic substructures. If there are no toxip
20、horespresent or other data which indicate the non-reactive andnon-electrolytic chemical will be acutely toxic by a mechanismother than simple narcosis, this procedure will provide amaximum 96-h LC50 estimate or hypothetical narcosis 96-hLC50.6.2 Obtain the octanol-water partition coefficient (Kow),
21、bymeasurement (see Test Method E1147), from a literaturesource or by estimation based on structure.5Since the Kowvalue is critical to calculating the LC50, it is important toobtain a measured value rather than depending completely onliterature or estimation based on structure.6.3 Derive the relation
22、ship between the LC50 and Kowin theform:Log LC50 5 alogKow1blogcKow11! 2 d (1)using the bilinear model of Kubinyi.6,7Calculate the Coef-ficient of Determination (R2).6.4 Using this relationship, calculate an estimated LC50 foradditional non-reactive and non-electrolytic chemicals forwhich the Kowis
23、known or estimated.6.5 Compare the calculated 96-h LC50 with solubility to besure it is equal to or less than the solubility limit. If theestimated LC50 is greater than the solubility, the chemical isprobably not lethal at the highest possible dissolved concen-tration in water.7. Report7.1 Report th
24、e following information:7.1.1 The coefficients derived using the relationship in 6.3and the coefficient of determination,7.1.2 The estimated 96-h LC50 for a non-reactive andnon-electrolytic chemical of interest based on the derivedrelationship,7.1.3 Sources of data for LC50 and Kowfrom which therela
25、tionship was defined,7.1.4 Source of the Kowfor a non-reactive and non-electrolytic chemical of interest,7.1.5 Name and address of the persons making each deri-vation of the LC50 Kowrelationship and estimates, and7.1.6 Date of the estimates.ASTM International takes no position respecting the validit
26、y of any patent rights asserted in connection with any item mentionedin this standard. Users of this standard are expressly advised that determination of the validity of any such patent rights, and the riskof infringement of such rights, are entirely their own responsibility.This standard is subject
27、 to revision at any time by the responsible technical committee and must be reviewed every five years andif not revised, either reapproved or withdrawn. Your comments are invited either for revision of this standard or for additional standardsand should be addressed to ASTM International Headquarter
28、s. Your comments will receive careful consideration at a meeting of theresponsible technical committee, which you may attend. If you feel that your comments have not received a fair hearing you shouldmake your views known to the ASTM Committee on Standards, at the address shown below.This standard i
29、s copyrighted by ASTM International, 100 Barr Harbor Drive, PO Box C700, West Conshohocken, PA 19428-2959,United States. Individual reprints (single or multiple copies) of this standard may be obtained by contacting ASTM at the aboveaddress or at 610-832-9585 (phone), 610-832-9555 (fax), or servicea
30、stm.org (e-mail); or through the ASTM website(www.astm.org). Permission rights to photocopy the standard may also be secured from the Copyright Clearance Center, 222Rosewood Drive, Danvers, MA 01923, Tel: (978) 646-2600; http:/ Lakes Water Quality Initiative Technical Support Document for theProcedu
31、re to Determine Bioaccumulation Factors Appendix A, Procedure forDeriving Recommended Values for Log Kow, EPA-820-B-95-005, 1995.6Kubinyi, H., “Non-Linear Dependence of Biological Activity on HydrophobicCharacter: The Bilinear Model,” Farmaco (Pavia) Ed. Sci., Vol 34, pp. 248276.7Veith, G. D., Call, D. J., and Brooke, L. T., “Structure-Toxicity Relationshipsfor the Fathead Minnow, Pimephales promelas : Narcotic Industrial Chemicals,”Canadian Journal of Fisheries and Aquatic Sciences, Vol 40, 1983, pp. 743748.E1242 97 (2014)2
