Registration Dossier
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EC number: 269-284-3 | CAS number: 68214-04-0
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:
- 22 September 2016
- 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)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- pH:
- 7.5
- Details on results:
- The partition coefficient of the substance is smaller than that of 2 butanone
- Conclusions:
- The logPow of the substance is < 0.3
- Executive summary:
In a test using the HPLC method the retention time of the substance lay below of the retention time of thiourea. Therefore the log Pow is stated as < 0.3.
Reference
log k and log POWof Reference Items
Compound |
log k |
log POW |
2-Butanone |
-0.4904 |
0.30 |
Benzylalcohol |
-0.2474 |
1.10 |
Acetophenone |
-0.0322 |
1.70 |
Nitrobenzene |
0.1061 |
1.90 |
Benzene |
0.3451 |
2.10 |
Toluene |
0.6005 |
2.70 |
Equation of the regression: log k = 0.4619 * log POW– 0.7075 with a coefficient of determination r2= 0.9549
Retention Times, Capacity Factor, log Capacity Factor, log POWTest Item
Measurement |
RT min |
k |
log k |
log POW |
Measurement 1 |
0.865 |
-0.3771 |
n.c.* |
n.c.* |
Measurement 2 |
0.868 |
-0.3751 |
n.c.* |
n.c.* |
Measurement 3 |
0.867 |
-0.3754 |
n.c.* |
n.c.* |
Mean |
0.867 |
|
|
n.c.* |
Standard deviation |
0.002 |
|
|
n.c.* |
* Not calculable, because k is negative. The retention time of the peak is lower than the retention time of thiourea (1.389 min), which was used for the determination of the dead time of the method
Description of key information
In a test using the HPLC method the retention time of the substance lay below of the retention time of thiourea. Therefore the log Powis stated as < 0.3.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.3
- at the temperature of:
- 25 °C
Additional information
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