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EC number: 233-316-4 | CAS number: 10114-86-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental starting date: 28 April 2017; Experimental completion date: 03 November 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
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 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Disodium 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bis[benzenesulphonate]
- EC Number:
- 233-316-4
- EC Name:
- Disodium 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bis[benzenesulphonate]
- Cas Number:
- 10114-86-0
- Molecular formula:
- C27H22N6Na2O9S2
- IUPAC Name:
- disodium 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bis[benzenesulphonate]
- Test material form:
- solid: particulate/powder
- Details on test material:
- Identification: CIM-42(Direct Yellow 132)
Appearance/physical state: dark orange colored powder
Batch: 161011K
Purity: 94.0%
Expiry / Retest date: 01 December 2017
Storage conditions: Room temperature, in the dark over silica
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- < -2.7
- Temp.:
- 22.5 °C
- pH:
- >= 6.18 - <= 6.77
- Details on results:
- Preliminary Estimate:
KOWWIN calculation: The estimated partition coefficient was a log Pow of 0.68.
Definitive Test: log10 Pow : <-2.7
Any other information on results incl. tables
Definitive Test:
The analyzed concentration (mg/L) and test item weight (mg) of the respective phases are shown in the following table:
Sample number |
Total weight (mg)* |
Organic phase |
Aqueous phase |
% recovery |
|||
Analyzed concentration (mg/L) |
Weight (mg)† |
Analyzed concentration (mg/L) |
Weight (mg)† |
pH |
|||
1 |
<118 |
<4.00 |
<0.460 |
2.054 x 103 |
119.1 |
6.52 |
<101.0 |
2 |
<112 |
<4.00 |
<0.440 |
2.029 x 103 |
111.6 |
6.44 |
<99.8 |
3 |
<171 |
<4.00 |
<0.336 |
2.061 x 103 |
173.1 |
6.43 |
<101.2 |
4 |
<167 |
<4.00 |
<0.328 |
2.040 x 103 |
167.3 |
6.18 |
<100.1 |
5 |
<229 |
<4.00 |
<0.224 |
2.042 x 103 |
228.7 |
6.51 |
<100.1 |
6 |
<235 |
<4.00 |
<0.232 |
2.026 x 103 |
233.0 |
6.77 |
<99.4 |
pH of n-octanol saturated water: 6.09
pH of stock solution: 6.13
Temperature: 22.5 ± 0.5°C
*From analysis of the stock solution
†From analysis of the respective phase, as the detected peak was outside the linearity limits a limit value of the nominal lowest calibration linearity standard was used (2 mg/L), dilution factor applied (4 mg/L)
The partition coefficient determined for each sample is shown in the following table:
Sample number |
Organic/aqueous volume ratio |
Partition coefficient |
Log10Pow |
Mean partition coefficient |
1 |
2:1 |
<1.95 x 10-3 |
<-2.7 |
<1.97 x 10-3 |
2 |
<1.97 x 10-3 |
<-2.7 |
||
3 |
1:1 |
<1.94 x 10-3 |
<-2.7 |
<1.96 x 10-3 |
4 |
<1.96 x 10-3 |
<-2.7 |
||
5 |
1:2 |
<1.96 x 10-3 |
<-2.7 |
<1.97 x 10-3 |
6 |
<1.97 x 10-3 |
<-2.7 |
Mean Pow :<1.97x 10-3 log10Pow:<-2.7
Validation:
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 2.0 to 20.0 mg/L (organic), and 100 to 600 mg/L (aqueous). The results were satisfactory with a correlation coefficient (r) of 0.998 (organic), 1.000 (aqueous) being obtained.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test item has been determined to be less than 1.97 x 10-3 at 22.5 ± 0.5 °C, log10 Pow <-2.7.
- Executive summary:
The determination was carried out byashake-flask method, using a procedure designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
The partition coefficient of the test item has been determined to be less than 1.97 x 10-3 at 22.5 ± 0.5 °C, log10 Pow <-2.7.
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