Registration Dossier
Registration Dossier
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EC number: 947-711-0 | 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:
- from 2012-03-22 to 2012-08-01
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- 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
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.34
- Temp.:
- 25 °C
- pH:
- >= 7.8 - <= 8.3
- Details on results:
- The dead time was determined with thiourea to be 1.864 min. The log Pow of the test item was determined based on the calibration curve, to be 5.34.
- Conclusions:
- The log Pow of the test item was determined to be 5.34 at 25 °C.
- Executive summary:
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test item using the HPLC method. A solution of the test substance was prepared in the mobile phase.After equilibration of the HPLC system, the calibration mixture was injected first, followed by the test chemical solution twice, and the calibration mixture again. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor.The value found for the partition coefficients n-octanol/water is 5.34.
Reference
Results with the eference items tested
No |
Name |
CAS No |
Log Pow |
1 |
Thiourea |
62-56-6 |
- |
2 |
Cinnamyl alcohol |
104-54-1 |
1.95 |
3 |
Methyl alcohol |
93-58-3 |
2.20 |
4 |
Ethylbenzoate |
93-89-0 |
2.64 |
5 |
Benzophenone |
119-61-9 |
3.18 |
6 |
1,4-Dichlorobenzene |
106-46-7 |
3.45 |
7 |
Biphenyl |
92-52-4 |
3.98 |
8 |
Diphenyl ether |
101-84-8 |
4.21 |
9 |
Dibuthyl phthalate |
84-74-2 |
4.72 |
10 |
DDT |
50-29-3 |
6.36 |
Results with the test item
No |
tR, min |
k=(tR-t0)/t0 |
log k |
log Pow |
Mean log Pow |
1 |
6.550 6.554 Mean: 6.552 |
2.515 |
0.401 |
5.34 |
5.34 |
2 |
6.555 6.554 Mean: 6.555 |
2.517 |
0.401 |
5.34 |
Description of key information
The log Pow of the test item was experimentaly determined with HPLC method to be 5.34 at 25 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.34
- at the temperature of:
- 25 °C
Additional information
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test item using the HPLC method. A solution of the test substance was prepared in the mobile phase. After equilibration of the HPLC system, the calibration mixture was injected first, followed by the test chemical solution twice, and the calibration mixture again. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor.The value found for the partition coefficients n-octanol/water is 5.34.
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