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EC number: 700-174-4 | CAS number: 1029600-34-7
- 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:
- 01, 02 July 2008
- 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 affcet the quality of relevant results.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of inspection: 21/08/07 Date of signature: 15/10/07
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reaction mass of :Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(Z)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)
- EC Number:
- 700-174-4
- Cas Number:
- 1029600-34-7
- Molecular formula:
- See structure.
- IUPAC Name:
- Reaction mass of :Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(Z)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)
- Reference substance name:
- Reaction mass of : Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(Z)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)
- IUPAC Name:
- Reaction mass of : Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(Z)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)
- Details on test material:
- Sponsor's identification : VCBK3810
Description : black powder
Lot number : N006746
Date received : 25 February 2008
Storage conditions : room temperature, in the dark
Constituent 1
Constituent 2
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 4.94 - < 4.97
- Temp.:
- 22 °C
- pH:
- > 0
- Type:
- Pow
- Partition coefficient:
- > 0.001 - < 0.001
- Temp.:
- 22 °C
- pH:
- > 0
Any other information on results incl. tables
Results:
Preliminary estimate:
Approximate solubility in n-octanol: 0.340 g/l
Approximate solubility in water: <9.75 x 10-3g/l
Approximate Pow: >34.8
Log10Pow: >1.54
Definitive test:
The mean peak areas obtained for the standard, stock and sample solutions are shown in the following two tables:
Solution |
Mean Area |
|
Group 1 |
Group 2 |
|
Standard 51.0 mg/l |
928.376 |
528.199 |
Standard 51.0 mg/l |
881.767 |
501.950 |
Organic phase matrix blank |
None detected |
None detected |
Sample 1 |
857.873 |
490.249 |
Sample 2 |
851.916 |
488.568 |
Sample 3 |
850.144 |
488.013 |
Sample 4 |
834.888 |
477.424 |
Sample 5 |
819.971 |
470.034 |
Sample 6 |
853.164 |
491.130 |
Stock solution A |
858.101 |
494.173 |
Stock solution B |
859.834 |
495.681 |
Aqueous Phase
Solution |
Mean Area |
|
Group 1 |
Group 2 |
|
Standard 2.53 mg/l |
45.639 |
21.733 |
Standard 2.50 mg/l |
48.816 |
22.605 |
Aqueous phase standard blank |
None detected |
None detected |
Aqueous phase sample blank |
None detected |
None detected |
Sample 1 |
19.140 |
None detected |
Sample 2 |
23.280 |
None detected |
Sample 3 |
22.970 |
None detected |
Sample 4 |
20.208 |
None detected |
Sample 5 |
20.386 |
None detected |
Sample 6 |
18.740 |
None detected |
The total weights (mg) and analysed concentration (mg/l) of the respective phases are shown in the following tables:
Group 1
Sample Number |
Volume of water saturated stock solution (ml) |
Volume of n-octanol saturated water (ml) |
Total Weight (mg)* |
Organic Phase |
Aqueous Phase |
||||||||||||
Analysed Concentration (mg/l) |
Weight (mg)† |
Analysed Concentration (mg/l) |
Weight (mg)† |
pH |
|||||||||||||
1 |
42 |
84 |
20.3 |
483 |
20.3 |
5.09 x 10-3 |
4.28 x 10-4 |
7.0 |
|||||||||
2 |
42 |
84 |
20.3 |
480 |
20.2 |
6.19 x 10-3 |
5.20 x 10-4 |
7.0 |
|||||||||
3 |
27 |
108 |
13.1 |
479 |
12.9 |
6.11 x 10-3 |
6.60 x 10-4 |
7.1 |
|||||||||
4 |
27 |
108 |
13.1 |
470 |
12.7 |
5.37 x 10-3 |
5.80 x 10-4 |
7.1 |
|||||||||
5 |
17 |
136 |
8.23 |
462 |
7.86 |
5.42 x 10-3 |
7.37 x 10-4 |
7.1 |
|||||||||
6 |
17 |
136 |
8.23 |
481 |
8.17 |
4.98 x 10-3 |
6.78 x 10-4 |
7.1 |
*From analysis of the stock solution
†From analysis of the respective phase
Group 2
Sample Number |
Volume of water saturated stock solution (ml) |
Volume of n-octanol saturated water (ml) |
Total Weight (mg)* |
Organic Phase |
Aqueous Phase |
|||
Analysed Concentration (mg/l) |
Weight (mg)† |
Analysed Concentration (mg/l) |
Weight (mg)† |
pH |
||||
1 |
42 |
84 |
20.6 |
485 |
20.4 |
<5.0 x 10-3 |
<4.2 x 10-4 |
7.0 |
2 |
42 |
84 |
20.6 |
484 |
20.3 |
<5.0 x 10-3 |
<4.2 x 10-4 |
7.0 |
3 |
27 |
108 |
13.2 |
483 |
13.0 |
<5.0 x 10-3 |
<5.4 x 10-4 |
7.1 |
4 |
27 |
108 |
13.2 |
473 |
12.8 |
<5.0 x 10-3 |
<5.4 x 10-4 |
7.1 |
5 |
17 |
136 |
8.33 |
465 |
7.91 |
<5.0 x 10-3 |
<6.8 x 10-4 |
7.1 |
6 |
17 |
136 |
8.33 |
486 |
8.27 |
<5.0 x 10-3 |
<6.8 x 10-4 |
7.1 |
pH of n-octanol saturated water: 7.0
Temperature: 22.0 ± 0.5°C
The partition coefficient determined for each sample is shown in the following tables:
Group 1:
Sample Number |
n-Octanol/Water Volume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
1:2 |
9.50 x 104 |
4.98 |
8.63 x 104 |
2 |
7.75 x 104 |
4.89 |
||
3 |
1:4 |
7.84 x 104 |
4.89 |
8.30 x 104 |
4 |
8.75 x 104 |
4.94 |
||
5 |
1:8 |
8.52 x 104 |
4.93 |
9.08 x 104 |
6 |
9.65 x 104 |
4.98 |
Mean Pow : 8.67 x 104 log10Pow: 4.94 Pow standard deviation : 7.99 x 103
Group 2
Sample Number |
n-Octanol/Water Volume Ratio |
Partition Coefficient |
Log10Pow |
1 |
1:2 |
>9.71 x 104 |
>4.99 |
2 |
>9.68 x 104 |
>4.99 |
|
3 |
1:4 |
>9.66 x 104 |
>4.99 |
4 |
>9.45 x 104 |
>4.98 |
|
5 |
1:8 |
>9.31 x 104 |
>4.97 |
6 |
>9.73 x 104 |
>4.99 |
Overall Pow : >9.31 x 104 log10Pow: >4.97
Validation:
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 100 mg/l. This was satisfactory with a correlation coefficient of 1.000 being obtained.
Recovery of analysis of the aqueous phase extraction procedure was assessed and proved adequate for the test. Recovery data is shown in the following table:
Nominal concentration (mg/l) |
Recovery range (%) |
Mean recovery (%) |
||
Group 1 |
Group 2 |
Group 1 |
Group 2 |
|
0.050 |
85.5 to 88.5 |
93.5 to 101 |
87.3 |
97.3 |
0.005 |
73.8 to 95.9 |
73.8 to 80.2 |
82.3 |
77.2 |
Concentrations have not been corrected for recovery of analysis.
Discussion:
Substances having a log10Powof greater than 3 are regarded as having the potential to bioaccumulate in the environment.
It is evident from the information obtained in the hydrolysis test (see section 10) and data relating to the pH of the test material in water that negligible hydrolysis of the sample solutions occurred during the course of the partition coefficient test.
The partition coefficient of salts is required at the pH in the environmentally relevant range of 5 to 9 at which solubility is maximized in n-octanol. As the central chromium containing functional group retains a permanent anionic charge, the determination was performed at an approximately neutral pH.
In the absence of definitive purity values for the test material, all calculated concentration values have been reported as equivalent test material concentrations. That is, the concentration calculated for any individual group/component is equivalent to that specified concentration of test material having been successfully dissolved. The test material has been quantified separately for the two distinct groups of peaks eluting at approximately 5.5 minutes and 10.5 minutes respectively. This has had no impact on the validity of the partition coefficient results, as they are determined from the ratio of concentrations only, and thus are independent from any purity corrections.
On analysis of the aqueous phase samples, no peak was detected for the second group of test material peaks. Therefore a limit has been used in calculations. This limit value originated from the lowest concentration at which the extraction procedure had been successfully validated.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test material has been determined to be 8.67 x 10E4 to greater than 9.31 x 10E4, log10 Pow, 4.94 to > 4.97.
- Executive summary:
Partition Coefficient: 8.67 x 104 to greater than 9.31 x 104 at 22.0 ± 0.5°C, log10Pow 4.94 to >4.97, using the shake-flask method, Method A8 of Commission Directive 92/69/EEC.
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