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Reaction product of 3-[4-(2-aminoethylamino)-6-(4-sulfoanilino)-1,3,5-heterocycle-2-ylamino]benzensulfonic acid, ammonia water, sodium chloride and {mixture of [poly(1~4)chlorosulfonylphthalocyaninato-N29,N30,N31,N32]copper(II), [poly(1~3)chlorosulfonyl (tribenzo[b,g,l]pyrido[2,3-q]-5,10,15,20-tetraazaporphyrinato-N21,N22,N23,N24)]copper(II),[poly(1~2)chlorosulfonyl(dibenzol[b,g(or b,l)dipyrido[2,3(or 3,2)-l,q (or g,q)]-5,10,15,20-tetraazaporphyrinato-N21,N22,N23,N24)] copper(II) and [monochlorosulfonyl(benzo[b]tripyridol[2,3(or 3,2)-g,lq]-5,10,15,20- tetraazaporphyrinato- N21,N22,N23,N24)] copper(II)
EC number: - | CAS number: -
- 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:
- 08 January 2009 to 07 February 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: 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 relevant results.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- not specified
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of inspection: 19 August 2008; Date of signature: 04 March 2009
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
Reference
- Name:
- Unnamed
- Type:
- Constituent
- Details on test material:
- Sponsor's identification : H-CB sodium salt
Description : blue solid
Purity : 94.8%
Lot number : MB-2
Date received : 04 December 2008
Storage conditions : room temperature in the dark
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- <= -3.59
- Temp.:
- 21.5 °C
- pH:
- >= 7 - <= 7.2
- Type:
- Pow
- Partition coefficient:
- <= 0
- Temp.:
- 21.5 °C
- pH:
- >= 7 - <= 7.2
Any other information on results incl. tables
Result
Preliminary estimate
Solubilityin
n-octanol: ≤ 1.35 x 10-2g/l
Solubility in water: ≥ 20.0 g/l
Approximate Pow: ≤ 6.74 x 10-4
Log10Pow: ≤
-3.17
Definitive test
The mean peak areas or heights obtained for the standard, stock and sample solutions are shown in the following two tables:
Table 2– Aqueous Phase
Solution |
MeanArea |
||
Standard 259 mg/l |
3.652 x 103 |
||
Standard 262 mg/l |
3.647 x 103 |
||
Sample 1 |
3.721 x 103 |
||
Sample 2 |
3.722 x 103 |
||
Sample 3 |
3.919 x 103 |
||
Sample 4 |
3.880 x 103 |
||
Sample 5 |
3.959 x 103 |
||
Sample 6 |
4.000 x 103 |
||
Stock solution A |
3.453 x 103 |
||
Stock solution B |
3.507 x 103 |
Table 3– Organic Phase
Solution |
MeanHeight* |
Standard 10.4 mg/l |
9.536 |
Standard 10.5 mg/l |
9.537 |
Sample 1 |
≤ 1.26 |
Sample 2 |
≤ 1.26 |
Sample 3 |
≤ 1.26 |
Sample 4 |
≤ 1.26 |
Sample 5 |
≤ 1.26 |
Sample 6 |
≤ 1.26 |
*see section below for discussion on use of peak heights.
Table 4
Sample Number |
Total Weight (mg)* |
Organic Phase |
Aqueous Phase |
|||
Analysed Concentration (mg/l) |
Weight (mg)† |
Analysed Concentration (mg/l) |
Weight (mg)† |
pH |
||
1 |
273 |
≤0.275 |
≤1.51 x 10-2 |
1.06 x 103 |
292 |
7.0 |
2 |
447 |
≤0.275 |
≤2.48 x 10-2 |
1.06 x 103 |
478 |
7.0 |
3 |
348 |
≤0.275 |
≤9.63 x 10-3 |
1.12 x 103 |
391 |
7.1 |
4 |
348 |
≤0.275 |
≤9.63 x 10-3 |
1.11 x 103 |
388 |
7.0 |
5 |
516 |
≤0.275 |
≤7.16 x 10-3 |
1.13 x 103 |
588 |
7.1 |
6 |
358 |
≤0.275 |
≤4.95 x 10-3 |
1.14 x 103 |
411 |
7.2 |
*From analysis of the stock solution
†From analysis of the respective phase
pH of n-octanol saturated
water: 4.7
pH of stock solution: 6.9
Temperature: 21.5 ± 0.5°C
The partition coefficient determined for each sample is shown in the following table:
Table 5
Sample Number |
Organic/Aqueous Volume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
5:1 |
≤2.59 x 10-4 |
≤-3.59 |
≤2.59 x 10-4 |
2 |
≤2.59 x 10-4 |
≤-3.59 |
||
3 |
10:1 |
≤2.46 x 10-4 |
≤-3.61 |
≤2.47 x 10-4 |
4 |
≤2.49 x 10-4 |
≤-3.61 |
||
5 |
20:1 |
≤2.44 x 10-4 |
≤-3.61 |
≤2.42 x 10-4 |
6 |
≤2.41 x 10-4 |
≤-3.62 |
Overall Pow :≤2.59 x 10-4 log10Pow:≤-3.59
Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 500 mg/l. This was satisfactory with a correlation coefficient of 1.000 being obtained.
Discussion
The test material contained sulphonic acid sodium salt groups and therefore pKa values outside the environmentally relevant pH range for the determination of partition coefficient. As a result, testing was performed at pH 7 using the shake-flask method as recommended for salts.
An organic matrix blank chromatogram was subtracted from the organic standards and samples to remove the baseline drift due to the mobile phase gradient. This was not performed for the aqueous standards and samples as the drift was not significant compared to the size of the test material peaks.
As no definable peak was detectable in the organic phase samples chromatography, a 4 x baseline noise was calculated around the retention time of the test material as a worse case scenario and used as a less than or equal to value to represent peak height.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test material has been determined to be ≤ 2.59 x 10-4, log10 Pow, ≤ -3.59.
- Executive summary:
Partition Coefficient. Less than or equal to 2.59 x 10-4 at 21.5 ± 0.5°C, log10 Pow,≤ ‑3.59, using the shake-flask method, Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008.
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