Document aBMON24bjwkRB54pN31NmjRgR

BACK TO MAIN Analytical Data Summary PFOS, Primary Standard - Test Control Reference #TCR-00017-046 S o lu b ilit y in W a t e r , Na t u r a l S e a w a t e r , an A q u e o u s So lu tio n of 3.5% S o d iu m C h lo ride, and n-O ctano L with S ubsequent Calculation of the n-O c tan o l:Water Pa r t it io n Co e ff ic ie n t (KoW) of PFO S fo r each of t h e A q u e o u s Ma t r ic e s Author Mark E. Ellefson Completion Date Date of signing Performing Laboratory 3M Environmental Laboratory Building 2-3E-09 935 Bush Avenue St. Paul, MN 55106 Project Identification Summary of Data Presented in Accordance with 3M Environmental Laboratory Study # FACT-TCR002 (LIMS #E00-1716) Centre Analytical Laboratories Study # 023-021 Total Number of Pages 8 BACK TO MAIN Table of Contents Introduction......................................................... 4 P u rp o s e ................................................................................................................ 4 Test Substance..........................................................................................................................................4 Test S ystem s............................................................................................................................................. 5 Summary of PFOS (TCR-00017-046) Solubility..................................................................................... 5 Determination of the Partition Coefficient (n-octanol/water) of PFOS (TCR-00017-046) for each of the Aqueous M atrices..................................... 6 Method Summaries................................................................................................................................... 7 References..... ............................................................................................................................................7 Signature Page........................................................................................................................................... 8 Analytical Data Summary, Page 2 of 8 BACK TO MAIN List of Tables Table 1. Characterization of the Test Substance and Analytical Reference Substance................... 5 Table 2. Description of Test System s.................................................................................................... 5 Table 3. Solubility of PFOS TCR-00017-046........................................................................................ 6 Table 4. Calculated log Kowfor PFOS (TCR-00017-046) in Various Aqueous Matrices................... 7 Analytical Data Summary, Page 3 of 8 BACK TO MAIN Introduction Solubility is an environmentally significant parameter because the spatial and temporal movement (mobility) of a substance through the environment is largely determined by its solubility in water. Water-soluble substances gain ready access to humans and other living organisms. The knowledge of the solubility of a substance in water is a prerequisite for testing biological degradation and bioaccumulation in water and many other tests. Solubility data can also be used for comparative and modeling purposes. Another significant parameter, the n-octanol/water partition coefficient (Kow), is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting of two largely immiscible solvents. The partition coefficient of a substance between water and a lipophilic solvent (n-octanol) is one model variable which may be used to describe both the transfer of a substance from the aquatic environment into an organism and the potential bioaccumulatiori of the substance. Studies have shown there is a highly significant relationship between the partition coefficient of different substances in the system n-octanol/water and their bioaccumulatiori in fish, as described by Neely, W.B., et al. "Partition Coefficients to Measure Bioconcentration Potential of Organic Chemicals in Fish"; Environmental Science and Technology 8:1113(1975). Purpose The purpose of this analytical data summary is to combine the solubility data for PFOS (TCR-00017-046) in ASTM Type I water, natural seawater, an aqueous solution of 3.5% sodium chloride, and n-octanol into a single document. This data was previously reported in 3M Environmental Laboratory Reports #E00-1716 Phase: Solubility of PFOS in Water, #E00-1716 Phase: Solubility of PFOS in Natural Seawater and an Aqueous Solution of 3.5% Sodium Chloride, and #E00-1716 Phase: Solubility of PFOS in n-Octanol. In addition, calculations were performed to determine the n-octanol:water partition coefficient (Kow) for PFOS (TCR-00017-046) in each of the aqueous matrices. The calculated Kowvalues are also presented in this document. T est Substance Potassium Perfluorooctanesulfonate (PFOS) #TCR-00017-046 CAS Number: 2795-39-3 Chemical Formula: C8F17S 03K Molecular Weight: 538.22 g/mol Analytical Data Summary, Page 4 of 8 BACK TO MAIN PFOS, Test Control Reference #TCR-00017-046 Table 1. Characterization of the Test Substance and Analytical Reference Substance T est S ubstance PFOS THPFOS Source Expiration Date Storage Conditions 3M Laboratory Identification Number Physical Description Purity Re-crystallized by George Moore, 3M Specialty Materials, Bldg. 236-1B-10 SynQuest Labs 01-01-2010 Not Available Frozen Frozen TCR-00017-046 TCR-00017-047 Lot #Q75-30 . White Powder ` 97.9% White Powder *The purity of the PFOS used in 3M Environmental Laboratory Report #E00-1716 was determined to be 97.9%. The purity of THPFOS (currently being determined by Centre Analytical Laboratory) will not affect any analytical findings. The same lots/source of both compounds were used throughout the entire study. Test Systems Table 2. Description of Test Systems T est S ystem Source Expiration Date Storage Conditions 3M Laboratory Identification Number Purity/Grade ASTM T y p e I W ater Millipore System NA Ambient NA ASTM Type I Natural S eaw ater Ocean Scientific International 2005 Ambient S o d iu m C h l o r id e EM Science 2010 Ambient TN-A: 4193 TN-A: 2458 Salinity 35 ACS Grade N-O CTANO L Aldrich 11/01/01 Flammable Cabinet TN-A: 4703 99%+ HPLC Grade Summary of PFOS (TCR-00017-046) Solubility The approximate solubility of PFOS (TCR-00017-046) was determined in each of the solvents by performing a solubility screen test, followed by a quantitative solubility determination via Shake Flask Method. Results are presented in table 3: Analytical Data Summary, Page 5 of 8 BACK TO MAIN Table 3. Solubility of PFOS TCR-00017-046 S olvent P F O S S o lu b il it y ASTM Type I W ater (C o r r e c t e d f o r P u r it y ) 680 pg/mL * Natural Seawater 12.4 pg/ml_ ** A queous Solution o f 3.5% Sodium Chloride 20.0 pg/mL ** n -O c tan o l 56.0 pg/mL *** * As reported by 3M Environmental Laboratory Report #E00-1716 Phase: Solubility of PFOS in Water, ** Phase: Solubility of PFOS in Natural Seawater and an Aqueous Solution of 3.5% Sodium Chloride, and * * * Phase: Solubility of PFOS in n-Octanol. All solubility determinations of PFOS TCR-00017-046 were conducted at 22-25 C. Determination of the Partition Coefficient (n-octanol/water) of PFOS (TCR-00017-046) for each of the Aqueous Matrices United States Environmental Protection Agency OPPTS 830.7550, "Partition Coefficient (nOctanol/Water), Shake Flask Method" and OECD 107, "Partition Coefficient (n-octanol/water): Shake Flask Method" guidelines define partition coefficient (K) as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting of two largely immiscible solvents. In the case of n-octanol and water, r'ow '"'n-octanol' '"'water The partition coefficient (K) is the dimensionless quotient of two concentrations, and is usually expressed as its logarithm to base 10. OPPTS and OECD guidelines for the determination of partition coefficient (n-octanol/water) by shake flask method state the method is not applicable to strong acids and bases, metal complexes, substances which react with the solvent, or surface-active agents. Measurements should be made on ionizable substances in their non-ionized form (free acid or free base) only by using an approp riate buffer with a pH below the pK for a free acid or above the pK for a free base. The physical properties of PFOS do not allow one to determine the partition coefficient by the shake flask method. However, individual solubility determinations of PFOS in water, natural seawater, an aqueous solution of 3.5% sodium chloride, and n-octanol have been conducted. The partition coefficient (n-octanol/water) was determined mathematically for each of the aqueous matrices. Results are summarized in Table 4. Analytical Data Summary, Page 6 of 8 BACK TO MAIN Table 4. Calculated log KqWfor PFOS (TCR-00017-046) in Various Aqueous Matrices A q u e o u s M a t r ix ASTM Type I Water Natural Seawater P F O S S o l u b il it y 680 pg/mL 12.4 pg/mL C a l c u l a t e d l o g K ow -1 .0 8 0 .6 5 Aqueous Solution of 3.5% Sodium Chloride 20.0 pg/mL 0 .4 5 Method Summaries The solubility determination of PFOS (TCR-00017-046) in each of the solvents was performed according to United States Environmental Protection Agency OPPTS 830.7840, "Water Solubility: Column Elution Method; Shake Flask Method" and OECD 105, "Water Solubility" Guidelines, using the 3M Environmental Laboratory methods ETS-8-170.0 "Solubility Screen Test: Approximate Solubility Determination of a Test Substance in Various Solvents;" and ETS-8-172.0 "Shake Flask Method; Solubility Determination of a Test Substance in Various Solvents" . All analyses were performed according to the 3M Environmental Laboratory method ETS-8-155.0 "Analysis of Perfluorooctanesulfonate or Other Fluorochemicals in Waste Stream or Water Extracts Using HPLC-Electrospray/Mass Spectrometry". The n-octanol/water coefficient determinations of PFOS (TCR-00017-046) in each of the aqueous matrices were calculated according to United States Environmental Protection Agency OPPTS 830.7550 "Partition Coefficient (n-Octanol/Water), Shake Flask Method" and OECD 107, "Partition Coefficient (n-octanol/water): Shake Flask Method" Guidelines. References 1. Fate, Transport and Transformation Test Guidelines Office of Prevention, Pesticides and Toxic Substances (OPPTS) 830.7840 Water Solubility: Column Elution Method; Shake Flask Method. EPA 712-C-96-041, August 1996. 2. OECD 105: Water Solubility. Adopted 27July, 1995. 3. Product Properties Test Guidelines Office of Prevention, Pesticides and Toxic substances (OPPTS) 830.7550 Partition Coefficient (n-Octanol/Water), Shake Flask Method, August 1996. 4. OECD 107:Partition Coefficient (n-octanol/water): Shake Flask Method. Analytical Data Summary, Page 7 of 8 BACK TO MAIN Signature Page We certify that this summary report is a true and complete representation of the data: William K. Reagen Laboratory Manager Date Analytical Data Summary, Page 8 of 8