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EC number: 696-126-4 | CAS number: 886592-17-2
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Testing was conducted between 13th November 2012 to 6th March 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2013
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- no
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- sodium 3-((2,3-dicyanophenyl)sulfonyl)propane-1-sulfonate
- EC Number:
- 696-126-4
- Cas Number:
- 886592-17-2
- Molecular formula:
- C11H9N2O5S2Na
- IUPAC Name:
- sodium 3-((2,3-dicyanophenyl)sulfonyl)propane-1-sulfonate
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -2.05
- Temp.:
- 25 °C
- pH:
- 7
- Details on results:
- Log P = -2.05 at 25 °C + or - 1°C
Any other information on results incl. tables
Assessment of Results
The stability of Stock Solutions 1, 2, and 3 from which the test solutions were prepared was checked alongside the sample analysis. These solutions were analysed after the water layer solutions of the partition coefficient test experimental work and the concentration of test substance present was determined. These values were then compared with the theoretical concentrations of the solutions.
A value of 305.8mg/l was determined for the diluted Stock Solution 1. Comparison of this value with the theoretical concentration of the solution (298.5mg/l) indicates a 102.5% recovery.
A value of 305.4mg/l was determined for the diluted Stock Solution 2. Comparison of this value with the theoretical concentration of the solution (298.5mg/l) indicates a 102.3% recovery.
A value of 305.6mg/l was determined for Stock Solution 3. Comparison of this value with the theoretical concentration of the solution (298.5mg/l) indicates a 102.4% recovery.
These values were deemed to show that there has been no significant degradation of the stock solutions in terms of concentration over the test period and therefore the solutions used in the test were considered to have been stable for the duration of the test.
Note that small amounts of analyte was present in the water and octanol/methanol blanks however it was not considered significant at the levels being analysed.
The pH of the water layers and the presaturated water blank was measured on completion of the partition coefficient shake flask test period, using a Sirius GLpH automatic pH meter which was calibrated prior to measurements being performed.
The standards used for the quantification of the Test Item in the octanol layers showed poor peak shape and reproducibility, however no Test Item was found in the octanol layers, therefore the LOQ was calculated as 1.160 mg/l and used to calculate the partition coefficient.
Individual Results
|
TEST 1A |
TEST 1B |
TEST 2A |
TEST 2B |
TEST 3A |
TEST 3B |
Weight of Test Item, mg |
53.73 |
53.73 |
35.82 |
35.82 |
8.955 |
8.955 |
|
|
|
|
|
|
|
Volume of n-Octanol Saturated Water, mls |
18 |
18 |
24 |
24 |
12 |
12 |
Volume of Water Saturated n-Octanol, mls |
18 |
18 |
12 |
12 |
24 |
24 |
|
|
|
|
|
|
|
Dilution of n-Octanol Layers |
10 |
10 |
10 |
10 |
10 |
10 |
Concentration in n-Octanol phase, mg/l |
<1.16 |
<1.16 |
<1.16 |
<1.16 |
<1.16 |
<1.16 |
Concentration in n-Octanol phase x dilution mg/l |
11.6 |
11.6 |
11.6 |
11.6 |
11.6 |
11.6 |
Number of mg in n-Octanol phase |
0.209 |
0.209 |
0.139 |
0.139 |
0.278 |
0.278 |
|
|
|
|
|
|
|
Dilution of Water Layers |
10 |
10 |
5 |
5 |
2.5 |
2.5 |
Concentration in Water phase, mg/l |
310.200 |
310.100 |
303.600 |
305.000 |
306.700 |
308.600 |
Concentration in Water phase x dilution, mg/l |
3102.000 |
3101.000 |
1518.000 |
1525.000 |
766.780 |
771.500 |
Number of mg in Water phase |
55.836 |
55.818 |
36.432 |
36.600 |
9.201 |
9.258 |
Total Number of mg recovered |
56.045 |
56.027 |
36.571 |
36.739 |
9.479 |
9.536 |
% Recovery (versus weight Test Item) |
104.3 |
104.3 |
102.1 |
102.6 |
105.9 |
106.5 |
|
|
|
|
|
|
|
p = conc in octanol/conc in water |
0.004 |
0.004 |
0.008 |
0.008 |
0.015 |
0.015 |
Mean P for each test condition |
0.004 |
0.008 |
0.015 |
|||
Mean P for all determinations |
0.009 |
|||||
Standard deviation of individual P from mean P |
0.005 |
|||||
Log P |
-2.398 |
-2.398 |
-2.097 |
-2.097 |
-1.824 |
-1.824 |
Log mean P for all determinations (2dp) |
-2.05 |
|||||
|
|
|
|
|
|
|
pH of Water layer |
6.75 |
6.72 |
6.87 |
6.68 |
6.94 |
7.00 |
Applicant's summary and conclusion
- Conclusions:
- The log P of the test material has been determined to be -2.05.
- Executive summary:
Introduction
The test material partition coefficient was determined according to 92/69/EEC, EC method A8 ( shake flask method) .
Results and conclusion
The log P of the test material has been determined to be -2.05
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