Registration Dossier
Registration Dossier
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EC number: 605-495-2 | CAS number: 167948-98-3
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:
- 06.06. - 09.07.02
- 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)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.3
- Temp.:
- 26 °C
- pH:
- 6.1
- Details on results:
- The pH of the test solution was not measured. However, as the test substance is no acid/base and barely soluble, the substance has no influence on the pH. The pH of the HPLC solvents Acetonitrile and water are about pH7.
- Conclusions:
- The log Pow of the test item was determined to be 5.3 at 20 °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 substance using the HPLC method. The n-octanol/water partition coefficient of the test substance was derived from its retention time and the calibration graph. The partition coefficient n-octanol/water of the test substance was determined to be logPow 5.3.
Reference
Reference substance |
1. Inj. tR |
2. Inj. tR |
3. Inj. tR |
MW-Wert tR |
k |
logk |
log Pow |
Acetophenon |
2.83 |
2.84 |
2.84 |
2.837 |
0.4113 |
-0.3859 |
1.7 |
Methyl benzoat |
3.21 |
3.22 |
3.22 |
3.217 |
0.6003 |
-0.2216 |
2.1 |
Phenylbenzoat |
4.24 |
4.25 |
4.25 |
4.247 |
1.1 128 |
0.0464 |
3.6 |
Biphenyl |
5.42 |
5.42 |
5.42 |
5.420 |
1.6965 |
0.2296 |
4.0 |
Phenanthren |
7.10 |
7.11 |
7.11 |
7.107 |
2.5357 |
0.4041 |
4.5 |
Triphenylamin |
9.75 |
9.75 |
9.76 |
9.753 |
3.8524 |
0.5857 |
5.7 |
|
|
|
|
|
|
|
|
Formamid |
2,01 |
2,01 |
2,01 |
2,010 |
|
|
|
Regressionsgleichung : log k = a + b * log Pow
Parameter: a = -0.7714
b
= 0.2448
r = 0.990
Tabelle 2 : log Pqw der Pnifsubstanz
Test item |
1. Inj.tR |
2-Inj. tR |
3. Inj. tR |
MW-Wert tR |
k |
logk |
log Pow |
|
8.68 |
8.69 |
8.69 |
8.687 |
27.277 |
0.5214 |
5.28 |
Description of key information
The log Pow of the test item was determined to be 5.3 at 20 °C (reference 4.7 -1).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.3
- at the temperature of:
- 20 °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 substance using the HPLC method. The n-octanol/water partition coefficient of the test substance was derived from its retention time and the calibration graph. The partition coefficient n-octanol/water of the test substance was determined to be logPow 5.3.
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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