Document 44o9YyGxVRqZvX5wG0O3K0Gv1

AR226-3133 Huntingdon n a job ab Q /tS S z. J * * * , / r* 1 i II r^s, PARTITION COEFFICIENT AND ADSORPTION/DESORPTION i} Sponsor DuPont Specialty Chemicals Jackson Laboratory Chambers Works Deepwater NJ 08023 USA Research Laboratory Huntingdon Life Sciences Ltd. Eye Suffolk IP23 7PX ENGLAND Draft: 20 August 1999 Final: 7 September 1999 Company Sanitized. Does not contain TSCA Paee 1 of 11 CONTENTS Page COMPLIANCE WITH GOOD LABORATORY PRACTICE STANDARDS................................. 3 QUALITY ASSURANCE STATEMENT................................................................................................ 4 RESPONSIBLE PERSONNEL.................................................................................................................. 5 SUM M ARY.................................................................................................................................................... 6 INTRODUCTION.............................................................................. 7 TEST SUBSTANCE..................................................................................................................................... 8 PHYSICAL PROPERTIES Partition coefficient.................................................................................................................................. 9 A dsorption/desorption...... ............ H Company Sanitized. Does not contain TSCA CB Huntingdon Life Sciences COMPLIANCE WITH GOOD LABORATORY PRACTICE STANDARDS Partition Coefficient and Adsorption/Desorption The study described in this report was conducted in compliance with the following Good Laboratory Practice standards and I consider the data generated to be valid. The UK Good Laboratory Practice Regulations 1997 (Statutory Instrument N o 654). EC Commission Directive 1999/11/EC o f 8 March 1999 (Official Journal N o L 77/8). OECD Principles o f Good Laboratory Practice (as revised in 1997), ENV/MC/CHEM(98)17. .............. ..................................... A. L. Comb, B.Sc., Ph.D. Study Director Huntingdon Life Sciences Ltd. Date : T : Company Sanitized. Does not contain TSCA CBf Huntingdon Life Sciences QUALITY ASSURANCE STATEMENT Partition Coefficient and Adsorption/Desorption The following inspections and audits have been carried out in relation to this study Study Phase Protocol Audit Date of Inspection 16 August 1999 Date of Reporting 16 August 1999 Process Based Inspections Partition coefficient 4 August 1999 6 August 1999 Report Audit 6 September 1999 6 September 1999 Protocol Audit: An audit o f the protocol for this study was conducted and reported to the Study Director and Company Management as indicated above. Process based inspections: At or about the time this study was in progress inspections o f routine 2 repetitive procedures employed on this type o f study were carried out. These were conducted and reported to appropriate Company Management as indicated above. Report Audit: This report has been audited by the Quality Assurance Department. This audit was conducted and reported to the Study Director and Company Management as indicated above. The methods, procedures and observations were found to be accurately described and the reported results to reflect the raw data. H. Comb, B.Sc. Principal Auditor, Department o f Quality Assurance, Huntingdon Life Sciences Ltd. Date : 4 : Canitized. Does not contain TSCA CBf RESPONSIBLE PERSONNEL Huntingdon Life Sciences Partition Coefficient and Adsorption/Desorption The following staff member has reviewed this report. T. C. Cowlyn, EurChem., C.Chem., M.R.S.C. (Scientific Manager, Product Characterisation, .Eye) : 5 : Cnmnanv Sanitized. Does not contain TSCA CB! i % i i SUMMARY ^ j g y j g s p e r f b r m e d to determine the partition coefficient and adsorption/desorption coefficient o f Values for the partition coefficient, Pow, were calculated by a computer program (LOGKOW Version ^ y T Se KCS! arC, Corporation), which estimates the lo g ^ TM value by reference to compound _ structures for which reliable partition coefficient data is available. The two components o f f f l ^ ^ i ^ ^ ^ v e r e found to have Iog|0Pow values o f-3-8 and s R in their non-ioni--sedi state. V a lu esfo H h e partition coefficient in this region indicate tha has the potential to bioaccumulate. Values for the adsorption/desorption coefficient, Koc, were calculated through.correlations with the estimated partition coefficient values. The two components o f H f t | ^ H B n w e r e found m havn log.oKoe values o f 2^3 and 3.2 in their non-ionised state. Values coefficient in this region indicate ^ a^ H ^ ^ H B h a s medium to low mobility potential in soil. : 6 : Company Sanitized. Does not contain TSCA CBI INTRODUCTION T J^^ jdjM vasdesigned to estimate the partition coefficient and adsorption/desorption coefficient o f Information on such physico-chemical parameters is important in predicting the environmental rate o f a test substance. The protocol was approved by the Study Director and Huntingdon Life Sciences Management on 16 August 1999 and by the Sponsor on 18 August 1999. The experimental phase o f the study was undertaken on 17 August 1999. Location o f study : Huntingdon Life Sciences Ltd. Eye Suffolk IP23 7PX ENGLAND Primary data from the tests performed at Huntingdon Life Sciences, and a copy o f the final report, are stored in the archives o f Huntingdon Life Sciences. : 7 : rmnar,w Sanitized. Does not contain TSCA CBI Identity: Chemical name: Intended use: Appearance: Storage conditions: Lot number: Expiry date: Purity: Date received: TEST SUBSTANCE Pale yellow slurry Room temperature 3 2 years from date o f receipt 23 June 1998 : 8 : Company Sanitized. Does not contain TSCA CB PARTITION COEFFICIENT DEFINITION AND UNITS The partition coefficient (P) is defined as the ratio o f the equilibrium concentrations o f a dissolved substance in a two-phase system consisting o f two largely immiscible solvents, in this case, n-octanol and water. C octanol c water The partition coefficient is usually given in the form o f its logarithm to base ten (Iog,0 Pow). METHOD Conventional methods ib i^ h ^ jeterm m tio n o f partition coeffjpient are not.gpplicable to surfaceactive materials such a < | S H M H | | V a l u e s o f logl0POw f o r W ^ B j ^ B v e r e thus determined by a calculation m eth od isin g a LOGKOW computer p rogram (V ereioi^ ra, Syracuse Research Corporation). The program estimates the logioPow value by reference to compound structures for which reliable logioPow data is available. _______________ponsists o f two principle components, both o f which are present in the free acid form and as the corresponding quartemary ammonium salts. The structures o f the components are as follows: CF3(CF2)nCH2CH2S 0 3H . . CF3(CF2),,CH2CH2S 0 3'NH4+ where, n = 5 or 7 The partition coefficient o f a test substance is usually determined on the compound in its non-ionisd form. Consequently the calculations were performed on the free acid components only. For n = 5, the results were as follows: Number 2 6 13 1 LogioPow Fragment description -ch 2C -F -so 2-o h aliphatic carbon aliphatic carbon - no H, not tertiary fluorine, aliphatic attachment sulphonic equation constant Coefficient Value 0.4911 0.9723 -0.0031 -3.1580 0.9822 5.8338 -0.0403 -3.1580 0.2290 Estimated logi0Pow= 3.8467 : 9 : Company Sanitized. Does not contain TSCA CBf For n = 7, the results were as follows: 1 Number Log,0POwFragment description Coefficient Value ! 2 -CHz- aliphatic carbon 0.4911 0.9822 8C aliphatic carbon - no H, not tertiary 0.9723 7.7784 17 -F fluorine, aliphatic attachment -0.0031 -0.0527 1 -SO2-OH sulphonic -3.1580 -3.1580 equation constant 0.2290 Estimated logi0Pow= 5.7789 CONCLUSION The two non-ionised components o f p ^ ^ ^ H w e r e estimated to have logioPow values o f 3.8 and 5.8 (e q u iv a lM ^ ^ ^ J O k a n d 600000 respectively). Values for the partition coefficient in this region indicate t h a t | H m m ^ f f i i a s the potential to bioaccumulate. i Ij ! : 10: f>Hmnanv Sanitized. Does not contain TSC CBi ADSORPTION/DESORPTION DEFINITIONS The adsorption coefficient, K, related to the organic carbon content o f the soil is a useful parameter describing the adsorption characteristics o f non polar substances on a wide variety o f different soils This parameter can be estimated by correlations with the n-octanol/water partition coefficient. METHOD Due to the surfactant nature o f the test substance, practical determination o f the adsorption coefficient was not possible and thus values for log^K were estimated based on an empirical relationship* with the partition coefficient, Pow, results. Estimated K values foi :an be calculated as follows: logioKoc = 0.47 Iog10Po* + 0.50 For the non-ionised components 0f p H | ^ ^ | ^ t h e Iogi0Pow values were calculated to be 3.8 and as thus estimated to have log,0 CONCLUSION values o f 2.3 and 3.2. The two non-ionised components o f ^ m ^ ^ ^ ^ y e r e calculated to have Iogi0 K values o f 2.3 and 3.2 (equivalent K = 200 and 1700 respectively). Values for the adsorption coefficient in this region indicate that Zonyl FS-62 has medium to low mobility potential in soil. *Technical Guidance Document in Support o fCommission Directive 93/67/EEC on Risk Assessment o fNew Notified Substances : 11 : Company Sanitized. Does not contain TSCA CE