Registration Dossier
Registration Dossier
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EC number: 262-104-4 | CAS number: 60207-90-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 16 Nov 1987 to 17 Nov 1987
- 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)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- log Pow
- Partition coefficient:
- 3.72
- Temp.:
- 25 °C
- pH:
- 6.6
- Remarks on result:
- other: Range: 3.75 - 3.64
- Type:
- Pow
- Partition coefficient:
- 5 280
- Temp.:
- 25 °C
- pH:
- 6.6
- Remarks on result:
- other: St. Dev. = 903
- Details on results:
- Overall mean value of n=6 determinations. See for more detail in "Any other infromation on results incl tables".
- Conclusions:
- Partition Coefficient of n-Octanol - water with overall mean value of 6 determinations (n = 6) was found to be: Pow = 5280 ± 903 (Std. dev.) or log Pow = 3.72 (Range: 3.75 - 3.64).
- Executive summary:
This study was performed in accordance with the OECD guideline 107 in compliance with GLP. The octanol / water partition coefficient, Pow and its logarithm to base 10, log Pow, were determined to be Pow = 5280 ± 903 at 25 °C and logPow = 3.72 (range: 3.79 - 3.64) at 25 °C. The log Pow value and its standard deviation are given correct to two decimal places.
Reference
|
Volumes Vw = 25ml, Vorg = 2ml, Ratio V1 = 25/2 |
|||||
V1 |
V2 = 2V1 |
V3 = iV1 |
||||
Exp. No.: |
1.1 |
1.2 |
2.1 |
2.2 |
3.1 |
3.2 |
Go = weigh-in (mg) |
5.917 |
5.917 |
2.958 |
2.958 |
11.83 |
11.83 |
Gw = weigh- out in aqu.phase (mg) |
0.017 |
0.012 |
0.015 |
0.011 |
0.017 |
0.013 |
Gorg = weigh-out in oct.phase (mg) |
5.716 |
5.819 |
2.909 |
2.943 |
11.82 |
11.82 |
Total mass weight - out (mg) |
5.733 |
5.831 |
2.924 |
2.954 |
11.84 |
11.83 |
Co in org. phase before equil. (10E-4 moles/L) |
86.45 |
|||||
Cw = c in aqu.phase after equil. (10E-4 moles/L) |
0.0195 |
0.0142 |
0.0178 |
0.0133 |
0.0195 |
0.0151 |
Cor = c in oct.phase after equil. (10E-4 moles/L) |
83.52 |
85.02 |
85.02 |
86.01 |
86.35 |
86.35 |
Partition coefficient Pown |
4283 |
5987 |
4776 |
6467 |
4428 |
5719 |
Mean Pow |
5135 |
5622 |
5074 |
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Description of key information
Log Kow = 3.7 at 25 °C, OECD TG 107, shake-flask method, Vijayakumar 2011.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.7
- at the temperature of:
- 25 °C
Additional information
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