Registration Dossier
Registration Dossier
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EC number: 249-530-6 | CAS number: 29240-17-3
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:
- 2013
- 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:
- yes
- Remarks:
- The test- and reference substances were dissolved in methanol
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Chemical name: tert-Amyl peroxypivalate
Trade name: Trigonox 125-C75
CAS number: 29240-17-3
Batch/lot no.: 1205442102
Best before: 01-06-2014
Storage until required: -25 °C - Key result
- Type:
- log Pow
- Partition coefficient:
- 3.3
- Temp.:
- 30 °C
- pH:
- 7
- Conclusions:
- The log Kow was determined to be 3.3
- Executive summary:
The partition coefficient n-octanol/water (Kow) of tert-Amyl peroxypivalate was estimated using the High Performance Liquid Chromatography (HPLC) method. The Kow test was performed in accordance with the OECD guideline 117 with a modification, the test- and reference substances were dissolved in methanol. In the test, the average measured Log Kow value for tert-Amyl peroxypivalate was calculated with the retention time from two injections, using the calibration plot of Log k versus Log Kow of the selected reference substances. The average measured Log Kow value for tert-Amyl peroxypivalate, as determined from the test, was 3.3. tert-Amyl peroxypivalate had a Kow of 2.0E+03.
Reference
Data retention time and corresponding log k, log Kowdata
Substance |
log Kow theor. |
Average net |
Average |
Thiourea |
|
0 |
|
Aniline |
0.9 |
0.46 |
-0.53 |
Methyl benzoate |
2.1 |
1.55 |
0.00 |
Bromobenzene |
3.0 |
3.69 |
0.38 |
Phenantrene |
4.5 |
12.19 |
0.90 |
Fluoranthene |
5.1 |
18.74 |
1.08 |
4,4'-DDT |
6.5 |
32.12 |
1.32 |
tert-Amyl peroxypivalate |
|
3.81 |
0.40 |
Description of key information
The partition coefficient log Kow value for tert-amyl peroxypivalate is 3.3.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.3
- at the temperature of:
- 30 °C
Additional information
The partition coefficient n-octanol/water (Kow) of tert-Amyl peroxypivalate was estimated using the High Performance Liquid Chromatography (HPLC) method. The Kow test was performed in accordance with the OECD guideline 117 with a modification, the test- and reference substances were dissolved in methanol. In the test, the average measured Log Kow value for tert-Amyl peroxypivalate was calculated with the retention time from two injections, using the calibration plot of Log k versus Log Kow of the selected reference substances. The average measured Log Kow value for tert-Amyl peroxypivalate, as determined from the test, was 3.3. tert-Amyl peroxypivalate had a Kow of 2.0E+03.
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