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EC number: 263-179-6 | CAS number: 61791-46-6
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 27 July 1995
- Deviations:
- no
- GLP compliance:
- not specified
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.38
- Temp.:
- 20 °C
- pH:
- 5.72
- Conclusions:
- In a study performed according to OECD 107 a log Pow of 5.38 was determined for the test item.
- Executive summary:
The partition coefficient of the test item was determined in a study according to OECD guideline 107. For the test item a log Pow of 5.38 was determined.
Reference
Table 1: 1-Octanol solubility of Humectol LYS Mod
Flask |
Shaking Duration (h) |
Weighted sample in g/ 5 mL |
Peak areas of the signals |
1-Octanol solubility of Humectol LYS Mod mg/L |
Average/ day mg/L |
Average g/L |
Standard deviation mg/L |
OCT-1 |
24 |
3.3445 |
4500446.5 |
575618 |
509921 |
532.7 |
26.6 |
OCT-2 |
24 |
3.3347 |
3440439.5 |
484221 |
|||
OCT-3 |
24 |
3.2516 |
3285118.5 |
469924 |
|||
OCT-4 |
48 |
3.3801 |
3316780 |
472860 |
526303 |
||
OCT-5 |
48 |
3.7000 |
4508830 |
576308 |
|||
OCT-6 |
48 |
3.6237 |
3953879 |
529743 |
|||
OCT-7 |
72 |
3.9709 |
4764241 |
596931 |
561995 |
||
OCT-8 |
72 |
3.6699 |
4277017 |
557182 |
|||
OCT-9 |
72 |
3.6224 |
3978642 |
531873 |
The solubility of the test item in 1 -Octanol: 532 ± 5.38
Estimation of the partition coefficient
The partition coefficient of the solute can be estimated with the following formula:
log Pow = log ([solute] 1-octanol/[solute] water)
With the previous results for water solubility of 0.0022 ± 0.0003 g/L and 1 -Octanol solubility, the estimation of the partition coefficient of the test item is:
log Pow = log (532.7 g/L / 0.0022 g/L) = 5.38
Description of key information
In a study performed according to OECD 107 a log Pow of 5.38 was determind for the test item.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.38
- at the temperature of:
- 20 °C
Additional information
The partition coefficient of the test item was determined in a study according to OECD guideline 107. For the test item a log Pow of 5.38 was determined.
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