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Reaction mass of Cuprate(4-), [μ-[[3,3'-methylenebis[6-[[5-[(2,4-disulfophenyl)azo]-2,4-dihydroxyphenyl]azo]benzoato]](8-)]]di-, sodium and copper (2+) pentasodium 2-[2-{2-amino-5-[2-(2,4-disulfophenyl)diazen-1-yl]-4-hydroxyphenyl}diazen-1-yl]-5-({3-carboxy-4-[2-{5-[2-(2,4-disulfophenyl)diazen-1-yl]-4-hydroxy-2-oxidophenyl}diazen-1-yl]phenyl}methyl)benzoate and sodium chloride
EC number: 948-009-7 | 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
- Remarks:
- Partition Coefficient (n-octanol/water), HPLC Method / OECD 117 / EU A.24.
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- November 2018
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- other: EU A.24 method
- GLP compliance:
- no
- Remarks:
- GLP compliance not required
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reaction mass of Cuprate(4-), [μ-[[3,3'-methylenebis[6-[[5-[(2,4-disulfophenyl)azo]-2,4-dihydroxyphenyl]azo]benzoato]](8-)]]di-, sodium and copper(2+) disodium 5-[(3-carboxyphenyl)methyl]-2-[2-{4-hydroxy-2-oxido-5-[2-(4-sulfophenyl)diazen-1-yl]phenyl}diazen-1-yl]benzoate” and sodium chloryde
- EC Number:
- 948-009-7
- Molecular formula:
- Not applicable for a multi-constituent substance
- IUPAC Name:
- Reaction mass of Cuprate(4-), [μ-[[3,3'-methylenebis[6-[[5-[(2,4-disulfophenyl)azo]-2,4-dihydroxyphenyl]azo]benzoato]](8-)]]di-, sodium and copper(2+) disodium 5-[(3-carboxyphenyl)methyl]-2-[2-{4-hydroxy-2-oxido-5-[2-(4-sulfophenyl)diazen-1-yl]phenyl}diazen-1-yl]benzoate” and sodium chloryde
- Test material form:
- solid: particulate/powder
- Details on test material:
- Acid brown 161 batch no. ID151860 CAS no. 85338-16-5
Composition of the muti-constituent substance is included in the report as an extract of the analytical report.
Constituent 1
- Specific details on test material used for the study:
- Acid brown batch no. ID151860; production date: 01. Jan. 2017; expiry date: 01. Oct. 2019. Purity and composition of the substance is included in the report as an extract of analytical report of the substance.
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- pH:
- ca. 6
- Details on results:
- The study was performed using a HPLC with a C18 column. Six reference items with different retention times and thiourea for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and POW are correlated.
The reference items were chosen based on the results of the pre-test. One vial was filled with the reference item mix and one vial with the test item solution. The vials were analysed using the HPLC with the program described below. First one injection from the solvent blank methanol/water 65/35 (v/v) was made. Then three injections were measured from the reference item mix, three injections from the test item and again three injections from the reference item mix.
For each reference item, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference item. Please refer to page 4 of the report that includes a summary table.
A calibration function (log k versus log POW, linear fit) was determined using the literature values for POW of the reference items and the retention times in the six determinations.
The chromatogram of the test item gave two peaks. Peak 2 showed increasing areas during the measurements, indicating, that this peak is a result of instability of the test item during measurements. With the calibration function log k versus log Pow, the corresponding log Pow values of the two peaks were determined with.
Peak Mean Area Relative Area Mean Retention log POW
[mAU*min]1 [%] Time [min] ± Standard Deviation
1 2.047 69.40 0.740 *n.c.
2 0.990 30.60 0.970 -1.729 ± 0.094
The dead time of the method was determined as 0.941 ± 0.002 min. Hence, the two peaks lie within the dead time of the method and not within the range of log POWs of the reference items.
Furthermore because peak 2 showed a relative peak area of only 5.1 % for the freshly pre- pared test item solution and is regarded to be a result of a degradation process, this peak was not used for the evaluation of log POW of the test item.
Therefore, the corresponding log POWs should be stated as < 0.3. Thus, the log POW of the test item Acid Brown 161 is < 0.3.
Any other information on results incl. tables
Test item Acid brown 161
Measurement data
The retention times and peak areas of the test item are presented in the following tables
Measurement |
RT 1 |
RT 2 |
|
min. |
min. |
Measurement 1 |
0.742 |
0.972 |
Measurement 2 |
0.740 |
0.972 |
Measurement 3 |
0.739 |
0.967 |
Mean |
0.740 |
0.970 |
Standard Deviation |
0.002 |
0.003 |
Peak Areas Test Items
Measurement |
Area Peak 1 |
RelativeArea Peak1* |
Area Peak 2 |
RelativeArea Peak 2* |
|
mAU*min |
% |
mAU*min |
% |
Measurement 1 |
2.062 |
85.33 |
0.354 |
14.67 |
Measurement 2 |
2.051 |
67.19 |
1.002 |
32.81 |
Measurement 3 |
2.027 |
55.69 |
1.613 |
44.31 |
Mean |
2.047 |
69.40 |
0.990 |
30.60 |
Relative Standard Deviation [%] |
0.01 |
0.22 |
0.64 |
0.49 |
*The areas of peaks 1 and 2 changed in dependence of time: The relative peak area of peak 1 decreased and the relative peak area of peak 2 increased with the time. The test item is regarded to be not stable in the solvent water.
Because peak 2 showed a relative area of only 5.1 % for the freshly prepared test item solution and is regarded to be a result of degradation process, this peak was not used for the final evaluation of log POW of the test item.
Calculated Values
The calculated values are presented in the following table:
Capacity Factor k, log k and log POW Test Item
Peak |
Measurement No. |
k |
log k |
log POW |
1 |
1 |
-0.211 |
*n.c. |
*n.c. |
2 |
-0.213 |
*n.c. |
*n.c. |
|
3 |
-0.215 |
*n.c. |
*n.c. |
|
Mean |
|
|
*n.c. |
|
Standard Deviation |
|
|
*n.c. |
|
2** |
1 |
0.033 |
-1.480 |
-1.675 |
2 |
0.033 |
-1.480 |
-1.675 |
|
3 |
0.028 |
-1.556 |
-1.838 |
|
Mean |
|
|
-1.729 |
|
Standard Deviation |
|
|
0.094 |
* n.c. = not calculable, because k is negative; **assumed as degradation product only, therefore not used for the final evaluation of log POW of the test item
log POW was calculated from the capacity factor as follows:
log POW = (log k + 0.6992) / 0.4661
Applicant's summary and conclusion
- Conclusions:
- Using the correlation log k / log POW, the log POW of the major components of test item Acid Brown 161 was calculated. The test item Acid Brown 161 exhibited two peaks in the chromatogram which both eluted within the dead time of the method.
Peak 2 showed a relative peak area of only 5.1 % for the freshly prepared test item solution and is regarded to be a result of degradation process, because it showed increasing relative peak areas during the measurement sequence. Therefore this peak was not used for the final evaluation of log POW of the test item.
The log POW of peak 1 was not calculable, because the retention time of peak 1 was lower than the retention time of the dead time marker thiourea.
The log POW of the test item is stated as < 0.3. - Executive summary:
The study was performed using a HPLC with a C18 column. Six reference items with different retention times and thiourea for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and POW are correlated.
The reference items were chosen based on the results of the pre-test. One vial was filled with the reference item mix and one vial with the test item solution. The vials were analysed using the HPLC with the program described below. First one injection from the solvent blank methanol/water 65/35 (v/v) was made. Then three injections were measured from the reference item mix, three injections from the test item and again three injections from the reference item mix.
For each reference item, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference item.
A calibration function (log k versus log POW, linear fit) was determined using the literature values for POW of the reference items and the retention times in the six determinations.
The chromatogram of the test item gave two peaks. Peak 2 showed increasing areas during the measurements, indicating, that this peak is a result of instability of the test item during measurements. With the calibration function log k versus log Pow, the corresponding log Pow values of the two peaks were determined with:
Peak
MeanArea
[mAU*min]1
RelativeArea
[%]
Mean Retention
Time[min]
log POW
±Standard Deviation
1
2.047
69.40
0.740
*n.c.
2
0.990
30.60
0.970
-1.729±0.094
*n.c.=notcalculable
The dead time of the method was determined as 0.941 ± 0.002 min. Hence, the two peaks lie within the dead time of the method and not within the range of log Pows of the reference items.
Furthermore because peak 2 showed a relative peak area of only 5.1 % for the freshly prepared test item solution and is regarded to be a result of a degradation process, this peak was not used for the evaluation of log Pow of the test item.
Therefore, the corresponding log POWs should be stated as < 0.3. Thus, the log Pow of the test item Acid Brown 161 is < 0.3.
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