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EC number: 218-507-2 | CAS number: 2167-23-9
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: 2,2-Di(tert-butylperoxy)butane
Trade name: Trigonox D-C50
CAS number: 2167-23-9
Batch/lot no.: 1211442406
Composition: See CoA
Best before: 01-12-2022
Storage until required: 5°C - Key result
- Type:
- log Pow
- Partition coefficient:
- 5.4
- Temp.:
- 30 °C
- pH:
- 7
- Conclusions:
- In the test, the average measured Log Kow value for complexation products of 2,2-di(tert-butylperoxy)butane 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 as determined from the test was 5.4, the Kow was calculated to be 2.8E+05.
- Executive summary:
The partition coefficient n-octanol/water (Kow) of 2,2-Di(tert-butylperoxy)butanewas estimated using the High Performance Liquid Chromatography (HPLC) method. The Kowtest was performed in accordance with the OECD guideline 117 with a modification, the test- and reference substances were dissolved in methanol. The data on the partition coefficient can be used to predict the adsorption on soil and sediments and for establishing quantitative structure-activity relationships for a wide range of biological effects.
The average measured Log Kowvalue for 2,2-Di(tert-butylperoxy)butane as determined from the test was 5.4.
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 |
2,2-di(tert-butylperoxy)butane |
|
20.99 |
1.13 |
Description of key information
The measured log Kow is 5.4 @ 30 oC
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.4
- at the temperature of:
- 30 °C
Additional information
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