Document Zn512GOqrvo041Qx0B4MjOd0

AR226-3133 me i Life Sciences Ee el Lna Lo af adh d Be Ne Hiei i im --- ade & m EL L ne E Yoe Pea ea aLoa i a lc add n E b ai a b Lc oli E EELn S Se a i a h Be en i hi i i Poa L Lor l hie k he ah Se g La Sediuiinlaa la o i i ! CompanySized.Dossrotconan TSCACE! i PARTITION COEFFICIENT AND ADSORPTION/DESORPTION 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 Paee 1 of 11 Company Sanitized. Does not contain TSCA CBl CONTENTS - Page COMPLIANCE WITH GOOD LABORATORY PRACTICE STANDARDS.............................. 3 QUALITY ASSURANCE STATEMENT...................................................................................... 4 RESPONSIBLE PERSONNEL...................................................................................................... 5 6 SUMMARY.................................................................................................................................... INTRODUCTION.......................................................................................................................... 7 TEST SUBSTANCE....................................................................................................................... 8 PHYSICAL PROPERTIES Partition coefficient.........................................................................................--........................ 9 Adsoqition/desorption................................................................................................................ 11 CpanySann-z.a.D,.sno.oo^TSCACB, .Q 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 No 654). EC Commission Directive 1999/1 I/EC of 8 March 1999 (Official Journal No L 77/8). OECD Principles of 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. ..z..SyLL....m. Date i Company SanitEzed. Does not contain TSCA CB( QUALITY ASSURANCE STATEMENT Huntingdon Life Sciences 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 of 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 of routine and repetitive procedures employed on this type of study were carried out. These were conducted and reported to appropriate Company Management as indicated above. Report A^idit: 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. y<-<^ H. Comb, B.Sc. Principal Auditor, Department of Quality Assurance, Huntingdon Life Sciences Ltd. ^...^Q^i^IC:RC31 Date :4: ,, e.nHi^d. Does not contain TSCA CBt 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 : Rnmnanv Sanitized. Does no6 contain TSCA C@f SUMMARY A s t u dUy--w--a s--------^ study was ppeerrffcormed to determine the partition coefficient and adsorption/desorption coefficient of I Values for the partition coefficient, Pow, were calculated by a computer program (LOGKOW Version 1.63, Syracuse Research Corporation), which estimates the logioPowvalue by reference to compound ofHHBfi structures for which reliable partition coefficient data is available. The two components ^PlHnvere found to have logioPow values ofJ-Sand 5.8 m their non-ionised state. Values for the partition coefficient in this region indicate thauB^----lhas the potential to bioaccumulate. Values for the adsorption/desorption coefficient, Koc, were calculated througrLforrelations with the offJUjJywere estimated partition coefficient values. The two components found to have logioKoc values of2J and 3.2 in their non-ionised state. Values for the adsorption coefficient in this region indicate thaqB----fias medium to low mobility potential in soil. :6 : Company Sanitized. Does not contain TSCA CBi INTRODUCTION j^^B^^----K This study wa^designed to estimate the partition coefficient and adsorption/desorption coefficient of Information on such physico-chemical parameters is important in predicting the environmentanate of a test substance. The protocol was approved by the Study Director and Huntingdon Life Sciences Management on 15 August! 999 and by the Sponsor on 18 August 1999. The experimental phase of the study was undertaken on 17 August 1999. Location of study : Huntingdon Life Sciences Ltd. Eye Suffolk IP23 7PX ENGLAND Primary data from the tests performed at Huntingdon Life Sciences, and a copy of the final report, are stored in the archives of Huntingdon Life Sciences. :7 : p^nanv Sanitized. Does no* 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 of receipt 23 June 1998 : " : Company Sanitized. Does not contain TSCA CB? PARTITION COEFFICIENT DEFINITION AND UNITS The partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting of two largely immiscible solvents, in this case, n-octanol and water. p(w= C octanol C waler The partition coefficient is usually given in the form of its logarithm to base ten (logio Pow). METHOD Conventional methods iprthedetermmtion of partition coefficient are not^pplicable to surface- active materials such as^HJHBQValues of logioPow forjH^B|H|^^'ere thus determined by a calculation methoousing a LOGKOW computer programCVersion^^l, Syracuse Research Corporation). The program estimates the logioPow value by reference to compound structures for which reliable logioPow data is available. JHHUHponsists of two principle components, both of which are present in the free acid form and as the corresponding quartemary ammonium salts. The structures of the components are as follows: CF3(CF;)nCH2CH2S03H , CF3(CF2)nCH2CH2SO^'N^il+ where, n = 5 or 7 The partition coefficient of a test substance is usually determined on the compound in its non-ionised 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;- C -F -SO^-OH aliphatic carbon aliphatic carbon - no H, not tertiary fluorine, aliphatic attachment sulphonic equation constant Coefficient Value 0.4911 0.9723 -0.0031 -3.1580 Estimated logioPow = 0.9822 5.8338 -0.0403 -3.1580 0.2290 3.8467 6 :9: Company Sanitized. Does not cor.iasn TSCA CBi For n = 7, the results were as follows: Number LogioPo* Fragment description Coefficient Value 2 -CHy aliphatic carbon 8 C aliphatic carbon - no H, not tertiary 17 -F fluorine, aliphatic attachment 1 SO^-OH sulphonic equation constant 0.4911 0.9723 -0.0031 -3.1580 0.9822 7.7784 -0.0527 -3.1580 0.2290 Estimated logioPow = 5.7789 CONCLUSION The two non-ionised components o^Pffflffwers estimated to have logio Pow values of 3.8 and 5.8 (equivalept Ppw = 71 OO^and600000 respectively). Values for the partition coefficient in this region indicate that|mHHI^ias the potential to bioaccumulate. : 10 : ^n,nanv Sar.RSzed. Does not contain TSCA CBi ADSORPTION/DESORPTION DEFINITIONS The adsorption coefficient, Koc, related to the organic carbon content of the soil is a useful parameter describing the adsorption characteristics ofnon polar substances on a wide variety of different soils. This parameter can be estimated by correlations with the n-octanol/water partition coefficient. METHOD Due to the surfactant nature of the test substance, practical determination of the adsorption coefficient was not possible and thus values for logioKoc were estimated based on an empirical relationship* with the partition coefficient, Pgw, results. Estimated Koc values foiUHl^IBB^" ^e calculated as follows: logioKoc = 0.47 logic Pow + 0.50 For the non-ionised components ^iBH^I^Ijthe logioPow values were calculated to be 3.8 and vas thus estimated to have logio Koc values of 2.3 and 3.2. CONCLUSION ofJ^fBvere The two non-ionised components calculated to have logic Koc values of 2.3 and 3.2 (equivalent Koc = 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 of Commission Directive 93/67/EEC on Risk Assessment of New Notified Substances 11 : Company Sanitized. Does not contain TSCA CB?