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EC number: 253-981-4 | CAS number: 38517-37-2
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:
- Computational approach in OECD Guideline 107
- GLP compliance:
- not specified
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Batch no.: 3837
Appearance: white powder - Key result
- Type:
- log Pow
- Partition coefficient:
- -2.4
- Temp.:
- 20 °C
- Remarks on result:
- other: pH: not specified
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.004
- Temp.:
- 20 °C
- Remarks on result:
- other: pH: not specified
- Details on results:
- -Solubility of the test substance in n-octanol: 0.8772±0.0638 g/L (ref: report 16-0700/1-8)
-Solubility of the test substance in water: 221.9±3.2 g/L (ref: report 16-07300/1-9)
The log Pow was calculated according the equation:
Pow= solubility of the test substance in n-octanol / solubility of the test substance in water
= 0.8772 g/L / 221.9 g/L
= 3.5E-03
Log Pow= -2.4 - Conclusions:
- Under the study conditions, the partition coefficient (log Pow) of the substance was calculated to be -2.4 at 20°C.
- Executive summary:
A study was conducted to determine the partition coefficient of the substance according to OECD Guideline 107. It was not technically feasible to measure an octanol-water partition coefficient for the test substance. Hence, partition coefficient of the test substance was calculated through the ratio of its solubility in n-octanol and water. Water and n-octanol solubility of the test substance was determined according to the test procedure VTA34N00003.01, which complies with EU test method L383 A/54-62 (EEC A.6). Under the study conditions, the partition coefficient (log Pow) of the substance was calculated to be -2.4 at 20°C (Schwarzkopf, 2016).
Reference
Description of key information
The partition coefficient (n-octanol/water) was determined according to OECD Guideline 107 (Schwarzkopf, 2016).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.4
- at the temperature of:
- 20 °C
Additional information
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