Registration Dossier
Registration Dossier
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EC number: 251-136-4 | CAS number: 32647-67-9
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:
- Experimental starting date: 01 June 2017; Experimental completion date: 13 September 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:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 2.16
- Temp.:
- 30 °C
- pH:
- ca. 7
- Conclusions:
- The partition coefficient of the test item has been determined to be 144, log10 Pow 2.16.
- Executive summary:
The determination was carried out using an 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.
The partition coefficient of the test item has been determined to be 144, log10 Pow 2.16.
Reference
Preliminary Estimate:
The log10Pow was calculated to be: 1.39 (KOWWIN calculation).
Definitive Test:
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 |
2.653 |
2.653 |
2.653 |
Standard |
Retention time (mins) |
Capacity factor (k') |
Log10k' |
Log10Pow |
||
Inj 1 |
Inj 2 |
Mean |
||||
2-Butanone |
4.028 |
4.028 |
4.028 |
0.518 |
-0.285 |
0.3 |
Aniline |
4.908 |
4.913 |
4.910 |
0.851 |
-7.02 x 10-2 |
0.9 |
Benzyl alcohol |
5.982 |
5.982 |
5.982 |
1.255 |
9.85 x 10-2 |
1.1 |
Benzonitrile |
7.993 |
7.988 |
7.991 |
2.012 |
0.304 |
1.6 |
Benzene |
18.353 |
18.338 |
18.345 |
5.915 |
0.772 |
2.1 |
Toluene |
37.230 |
37.187 |
37.208 |
13.025 |
1.115 |
2.7 |
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 |
17.595 |
5.63 |
0.751 |
2.16 |
2 |
17.595 |
5.63 |
0.751 |
2.16 |
Mean log10Pow : 2.16
Partition coefficient : 144
Description of key information
The determination was carried out using an 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.
The partition coefficient of the test item has been determined to be 144, log10 Pow 2.16.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.16
- at the temperature of:
- 30 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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