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EC number: 283-740-9 | CAS number: 84712-50-5
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:
- 2016-06-24 to 2016-11-09
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- Commission Regulation (EC) No 440/2008 of 30 May 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 13 April 2004
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of inspection: 05/07/2016; Date of issue: 28/10/2016
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 4.59 - ca. 6.41
- Temp.:
- 30 °C
- Remarks on result:
- other: pH not reported
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.98
- Temp.:
- 30 °C
- Remarks on result:
- other: Result for approximately 90% (area%) of the test substance
- Details on results:
- The partition coefficient of the test item has been determined to be a range from 3.91E+04 to 2.60E+06, with a range of log10 Pow 4.59 to 6.41, approximately 90% (area%) of the test item had a partition coefficient of 9.45E+05, log10 Pow 5.98.
- Conclusions:
- log Kow values in the range 4.59 to 6.41 were determined for the substance using a relevant test method and in compliance with GLP. The results are considered to be reliable.
Reference
Results
Preliminary Estimate
The log10Pow was calculated to be: 4.8 to 6.8
DefinitiveTest
Typical chromatography is presented in the attached Appendix 4.
Calibration
The retention times of the dead time and the retention times, capacity factors (k') and log10Pow values for the reference standards are shown in the following tables:
Dead time
Dead time |
Retention Time (mins) |
Mean retention time (mins) |
|
Injection 1 |
Injection 2 |
||
Thiourea |
0.691 |
0.691 |
0.691 |
Reference standards
Standard |
Retention time (mins) |
Capacity factor (k') |
Log10k' |
Log10Pow |
||
Injection 1 |
Injection 2 |
Mean |
||||
Naphthalene |
1.462 |
1.462 |
1.462 |
1.12 |
4.76 x 10-2 |
3.6 |
Phenanthrene |
2.095 |
2.095 |
2.095 |
2.03 |
0.308 |
4.5 |
1-Dodecanol |
4.982 |
4.975 |
4.979 |
6.21 |
0.793 |
6.0 |
1-Tetradecanol |
10.598 |
10.591 |
10.595 |
14.3 |
1.16 |
6.2 |
1-Hexadecanol |
23.342 |
23.335 |
23.339 |
32.8 |
1.52 |
6.7 |
1-Octadecanol |
52.394 |
52.358 |
52.376 |
74.8 |
1.87 |
7.2 |
Partition coefficient of sample
The retention times, capacity factor and log10Pow value determined for the sample are shown in the following table:
Peak ID |
Injection |
Retention time (mins) |
Capacity factor (k′) |
Log10k' |
Mean Log10 Pow |
Mean Adsorption Coefficient |
Average % Area |
1 |
1 |
3.967 |
4.74 |
0.676 |
4.59 |
3.91 x 104 |
0.22 |
2 |
3.974 |
4.75 |
0.677 |
||||
2 |
1 |
5.220 |
6.55 |
0.817 |
5.01 |
1.02 x 105 |
1.67 |
2 |
5.213 |
6.54 |
0.816 |
||||
3 |
1 |
6.437 |
8.32 |
0.920 |
5.32 |
2.08 x 105 |
0.15 |
2 |
6.437 |
8.32 |
0.920 |
||||
4 |
1 |
7.906 |
10.4 |
1.02 |
5.61 |
4.08 x 105 |
6.67 |
2 |
7.898 |
10.4 |
1.02 |
||||
5 |
1 |
8.676 |
11.6 |
1.06 |
5.74 |
5.52 x 105 |
0.41 |
2 |
8.669 |
11.6 |
1.06 |
||||
6 |
1 |
10.253 |
13.8 |
1.14 |
5.98 |
9.45 x 105 |
90.5 |
2 |
10.246 |
13.8 |
1.14 |
||||
7 |
1 |
14.069 |
19.4 |
1.29 |
6.41 |
2.60 x 106 |
0.40 |
2 |
14.155 |
19.5 |
1.29 |
Range of log10Pow: 4.59 to
6.41
Range of Partition coefficient: 3.91 x 104 to
2.60 x 106
Description of key information
log Kow: log Kow ranges from 4.59 to 6.41 (OECD 117). The substance has potential to bioaccumulate in the environment (log Kow >4).
Key value for chemical safety assessment
Additional information
log Kow values in the range 4.59 to 6.41 have been determined for the constituents of the substance using an HPLC method in accordance with OECD Test Guideline 117 and in compliance with GLP. For approximately 90% by area of the test substance, a log Kow value of 5.98 was obtained. The result is considered to be reliable.
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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