Registration Dossier
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EC number: 258-420-7 | CAS number: 53185-52-7
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:
- Form 21 November 2006 to 28 November 2006
- 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)
- Version / remarks:
- 2004
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 20 °C
- pH:
- 7
- Details on results:
- The retention time of the test substance was shorter than that of reference substance 2-butanone with known log Pow of 0.3.
- Conclusions:
- The log Pow of the substance is < 0.3.
- Executive summary:
The log Pow of the substance was determined using the HPLC method in a GLP study according to OECD 117. An ODS column, a mobile phase of 40/60 (v/v) methanol/buffer pH 7 and a RI detector were used. A 1000 mg/L test substance solution was injected in duplicate into the HPLC system. The test substance eluted before the reference substance with known log Pow of 0.3. It was therefore concluded that the log Pow of the substance is < 0.3.
Reference
| Name of the measured substance | tr | k' | log k' | log Pow | |
| Standard (for t0 determination) | Thiourea | 1.95 | |||
| 1.95 | |||||
| Reference substance | 2-butanone | 3.42 | 0.754 | -0.123 | 0.3 |
| 3.42 | 0.754 | -0.123 | 0.3 | ||
| Reference substance | Acetanilide | 5.73 | 1.938 | 0.287 | 1.0 |
| 5.73 | 1.938 | 0.287 | 1.0 | ||
| Reference substance | Benzonitrile | 10.52 | 4.395 | 0.643 | 1.6 |
| 10.53 | 4.400 | 0.643 | 1.6 | ||
| Reference substance | Nitrobenzene | 17.50 | 7.974 | 0.902 | 1.9 |
| 17.52 | 7.985 | 0.902 | 1.9 | ||
| Reference substance | Methyl benzoate | 30.20 | 14.487 | 1.161 | 2.1 |
| 30.25 | 14.513 | 1.162 | 2.1 | ||
| Reference substance | Trichloroethylene | 50.98 | 25.144 | 1.400 | 2.4 |
| 51.05 | 25.179 | 1.401 | 2.4 | ||
| Test substance | MDMPA | 2.58 (100% area) | < 0.3 | ||
| 2.58 (100% area) | < 0.3 |
Description of key information
log Pow at 20°C is < 0.3 (OECD 117: HPLC method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.3
- at the temperature of:
- 20 °C
Additional information
HPLC-RI system with ODS column and 40/60 (v/v) methanol/buffer pH 7 as mobile phase. The substance eluted before the reference substance with known log Pow of 0.3.
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