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EC number: 822-536-1 | CAS number: 2180952-76-3
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- March 27, 2017 to September 13, 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: C.I. Solvent Red 175
Appearance/Physical state: dark red viscous liquid
Batch: ZA07262016
Purity: 93.9 +/- 0.06 wt%
Expiry date: 25 May 2019
Storage conditions: room temperature in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 30 °C
- pH:
- 6.08
- Remarks on result:
- other: Temperature and pH values are values from the HPLC system.
- Conclusions:
- The partition coefficient of the test item has been determined to be greater than 3.16 x 10^6, log10 Pow > 6.5.
- Executive summary:
Partition Coefficient (n-octanol/water). Greater than 3.16 x 106, log10Pow> 6.5, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
Reference
Preliminary Estimate Results:
The log10Powwas calculated to be: approximately 15
Definitive Test Results:
Calibration:
The retention times of the dead time and the retention times, capacity factors (k') and log10Powvalues for the reference standards are shown in the following tables:
Dead Time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Thiourea |
1.395 |
1.399 |
1.397 |
Standard |
Retention Time (mins) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
||
Injection 1 |
Injection 2 |
Mean |
||||
Butanone |
1.978 |
1.983 |
1.980 |
0.417 |
-0.379 |
0.3 |
Benzene |
4.227 |
4.237 |
4.232 |
2.03 |
0.307 |
2.1 |
Naphthalene |
4.835 |
4.849 |
4.842 |
2.47 |
0.392 |
3.6 |
Phenanthrene |
5.384 |
5.398 |
5.391 |
2.86 |
0.456 |
4.5 |
Triphenylamine |
8.392 |
8.431 |
8.411 |
5.02 |
0.701 |
5.7 |
DDT |
12.362 |
12.464 |
12.413 |
7.89 |
0.897 |
6.5 |
Partition coefficient of sample:
The retention times, capacity factor and log10Powvalue determined for the sample are shown in the following table:
Injection |
Retention Time (mins) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
1 |
22.211 |
14.9 |
1.17 |
> 6.5 |
2 |
22.148 |
14.9 |
1.17 |
> 6.5 |
Mean log10Pow: greater
than 6.5
Partition coefficient: greater than 3.16 x 106
Discussion:
The result from the preliminary test indicated that the HPLC method was suitable for determination of partition coefficient for this test item.
The method guidelines suggest methanol as the organic solvent used for the mobile phase, however tetrahydrofuran was used instead due to the low solubility of the test item in methanol. The calibration curve constructed from the reference standard data was acceptable therefore the use of THF was assessed as acceptable.
Description of key information
Partition Coefficient (n-octanol/water). Greater than 3.16 x 106, log10Pow> 6.5, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
Key value for chemical safety assessment
Additional information
log10Pow> 6.5
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