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EC number: 227-369-2 | CAS number: 5809-08-5
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:
- June- December 2011
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Well conducted study according to OECD guideline, certificate of analysis included in the report.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- April 13nd, 2004.
- 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:
- 2.9
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not reported
- Remarks:
- pH not reported
- Conclusions:
- The average measured log Kow value for 1,1,3,3-tetramethylbutyl hydroperoxide is 2.9.
- Executive summary:
The partition coefficient n-octanol/water (Kow) of 1,1,3,3-tetramethylbutyl hydroperoxide was estimated in dulplicate using the High Performance Liquid Chromatography (HPLC) method. The Kowtest was performed in accordance with the OECD guideline 117. 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 Kow value for 1,1,3,3-tetramethylbutyl hydroperoxide is 2.9.
Reference
The average retention times of the reference substances as well as the test substance, corrected for the dead time, are presented in Table IV. The theoretical log Kowvalues of the reference substances were taken from OECD guideline 117.
Table IV: Data retention time and corresponding log k, log Kowdata
Substance |
log Kowtheor. |
Average net |
Average |
Sodium nitrate |
|
0 |
|
Aniline |
0.9 |
0.63 |
-0.28 |
Phenol |
1.5 |
0.70 |
-0.23 |
Methylbenzoate |
2.1 |
1.56 |
0.11 |
Bromobenzene |
3.0 |
3.47 |
0.46 |
Phenantrene |
4.5 |
10.93 |
0.96 |
4,4’-DDT |
6.5 |
27.70 |
1.36 |
1,1,3,3-tetramethylbutyl |
|
2.53 |
0.33 |
Figure 1 in the attachment displays the graph of the theoretical values of log Kowand the average log k of the reference substances.
Figure 2 in the attachment shows an example of a HPLC-chromatogram from the analysis performed according to the test set up.
The average measured log Kowvalue for 1,1,3,3-tetramethylbutyl hydroperoxide was calculated with the retention time from two injections using the calibration plot of log Kowversus log k of the selected reference substances. The average result for log Kowwas determined to be 2.9.
Description of key information
The partition coefficient log Kow value for 1,1,3,3-tetramethylbutyl hydroperoxide is 2.9.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.9
- at the temperature of:
- 20 °C
Additional information
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