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EC number: 255-449-7 | CAS number: 41583-09-9
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:
- 2001
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD Guideline 105, flask method
- GLP compliance:
- yes
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -3.17
- Temp.:
- 20 °C
- pH:
- 3.5
- Remarks on result:
- other: pH value of the filtrated aqueous phases
- Details on results:
- CALCULATION METHOD:
Using the Rekker calculation method, the Pow for the organic part of the test substance was calculated to be 2.4 x 10-1 (logPow = -0.61).
ESTIMATION METHOD:
Using the estimation method, the n-octanol solubility of the test substance at 19.5 +/- 1.0°C is 2.65 x 10-3 g/L, using the flask method.
The partition coefficient n-octanol water, calculated as the quotient of the n-octanol solubility and the water solubility of the test substance, is between 8.83 x 10-4 and 1.06 x 10-3 (logPow between -3.0 and -3.1)
Because the estimation method is considered more representative for environmental conditions, the result of the Estimation method is reported as the partition coefficient (n-octanol/water) of the test substance. - Conclusions:
- The partiton coefficient of test sbustance was calculated to be log Pow= -3.1 at 20°C
Reference
RE-Calculation with the re-tested water solubilty (updated 2020)
The water solubility was re-tested accordingly to the OECD Guideline 105, flask method corresponding to the study,BASF, 09S01413, 2010. Details refers to the endpoint 4.8.
Estimation of log Pow:
water solubiltiy: 3.9 g/L at 20°C, pH 3.5
n-octanol solubility: 2.65 mg/L at 20°C
Pow= c(n-octanol) / c( water)= 2.65 mg/L / 3900 mg/L= 6.795
Log Pow= -3.17
Description of key information
Calculated value based on solubility ratio:
log Pow= -3.17 at 20°C
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -3.17
- at the temperature of:
- 20 °C
Additional information
The test substance is an organic phosphate salt.Therefore, the partiion coefficient was calculated as a quotient of n-octanol solubility and the water solubility of test item.
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