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EC number: 915-586-1 | CAS number: -
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:
- 28 March 2017 - 26 May 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 Yellow 175 Solid
Batch: ZA07202016
Purity: >99%
Expiry date: 18 July 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:
- 6.4
- Remarks on result:
- other: The temperature and pH values are values from 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 in the range of 8 to 18.
Definitive Test Results:
Calibration:
The retention times of the dead time and the retention times, capacity factors (k') and log10 Powvalues for the reference standards are shown in the following tables:
Dead Time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Thiourea |
1.856 |
1.851 |
1.854 |
Standard |
Retention Time (mins) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
||
Injection 1 |
Injection 2 |
Mean |
||||
Benzene |
2.974 |
2.974 |
2.974 |
0.604 |
-0.219 |
2.1 |
Toluene |
3.639 |
3.639 |
3.639 |
0.963 |
-1.62 x 10-2 |
2.7 |
Naphthalene |
4.198 |
4.198 |
4.198 |
1.27 |
0.102 |
3.6 |
Phenanthrene |
6.506 |
6.506 |
6.506 |
2.51 |
0.400 |
4.5 |
Triphenylamine |
13.639 |
13.649 |
13.664 |
6.36 |
0.803 |
5.7 |
DDT |
20.432 |
20.442 |
20.437 |
10.0 |
1.00 |
6.5 |
Partition coefficient of sample:
The retention times, capacity factor and log10Powvalues determined for the sample are shown in the following table:
Peak |
Injection |
Retention Time (mins) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
Mean |
1 |
1 |
29.446 |
14.9 |
1.17 |
> 6.5 |
> 6.5 |
2 |
29.451 |
14.9 |
1.17 |
> 6.5 |
||
2 |
1 |
30.889 |
15.7 |
1.19 |
> 6.5 |
> 6.5 |
2 |
30.894 |
15.7 |
1.20 |
> 6.5 |
||
3 |
1 |
31.327 |
15.9 |
1.20 |
> 6.5 |
> 6.5 |
2 |
31.322 |
15.9 |
1.20 |
> 6.5 |
Overall log10Pow: greater
than 6.5
Overall 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 the test item.
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
- Log Kow (Log Pow):
- 6.5
- at the temperature of:
- 30 °C
Additional information
log10Pow> 6.5
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