Registration Dossier
Registration Dossier
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EC number: 239-263-3 | CAS number: 15206-55-0
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:
- 2014
- 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:
- not specified
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 1.9
- Temp.:
- 23 °C
- pH:
- 6.3
- Remarks on result:
- other: pH value of the water used for the preparation of the eluent
- Details on results:
- Additionally the solubility of the test item in n-octanol was tested.
The test item is miscible with n-octanol at room temperature (T = 23 °C) in any ratio. - Conclusions:
- The partition coefficient of test substance was determined to be logPow= 1.9 at 23°C at pH 6.3
The pH value is the pH of the water used for the preparation of the eluent. - Executive summary:
In this OECD 117 guideline study, the partition coefficient of the test material (EC 239-263-3) was determined be Log Pow 1.9 at 23 º and pH 6.3. The pH was measured on the water used to prepare the eluent.
Reference
Individual Results:
Component |
tR [min] (mean value of two determinations) |
k' |
logk' |
logPow |
Formamide (deadtime) |
1.5 |
|
|
|
Benzonitrile |
4.9 |
2.32 |
0.366 |
1.6 |
Acetophenone |
4.5 |
2.07 |
0.317 |
1.7 |
Nitrobenzene |
6.3 |
3.25 |
0.512 |
1.9 |
Anisol |
7.7 |
4.22 |
0.625 |
2.1 |
Ethylbenzoate |
10.4 |
6.06 |
0.783 |
2.6 |
Toluene |
13.3 |
8.06 |
0.906 |
2.7 |
Allylphenylether |
13.8 |
8.36 |
0.922 |
2.9 |
Ethylbenzene |
20.7 |
13.04 |
1.115 |
3.2 |
Phenylbenzoate |
20.2 |
12.69 |
1.103 |
3.6 |
Cumene |
30.6 |
19.77 |
1.296 |
3.7 |
Benzylbenzoate |
25.2 |
16.08 |
1.206 |
4.0 |
Test item, Peak1 |
6.1 |
3.12 |
0.494 |
1.9 |
Equation: log Pow = 2.3996 log k' + 0.7308
Description of key information
Study carried out according to guideline and with GLP compliance.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.9
- at the temperature of:
- 23 °C
Additional information
The determination was performed according to OECD Guideline 117, HPLC method.
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