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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2018-11-08
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)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
analysis (not specified)
Key result
Type:
log Pow
Partition coefficient:
< -2.5
Temp.:
20 °C
pH:
7

The preliminary test at room temperature showed, that the octanol solubility of the test item was below 3.2 g/L.

Preliminary test for the octanol solubility

Amount of test item [mg]

Total volume of added octanol [mL]

Stirring time at RT [min]

Remark

610

10

30

not dissolved

40

60

not dissolved

90

35

not dissolved

140

125

not dissolved

With the water solubility of >1012 g/L, refer to IUCLID section 4.8, and the solubility in octanol of <3.2 g/L, determined from this preliminary test, the partition coefficient log Pow was estimated to be <-2.5. For a log Pow in this range the value can only be estimated from the solubilities in water and 1-octanol. According to the criteria as laid down in the OECD guideline and ECHA guidance no available method is validated to determine the logPow in a range below -2. Therefore no main test was performed.

 

Conclusions:
The logPow was determined to be below -2.5 at 20 °C.
Executive summary:

A study according to OECD 107 and EU Method A.8 was performed to determine the partition coefficient octanol/water of the test item. The partition coefficient of the test item was estimated using the equation: Pow = c(1–octanol)/c(water).The water solubility of >1012 g/L, determined in the water solubility study, and the solubility in octanol of < 3.2 g/L, determined in this study, were used for the estimation of the partition coefficient. According to OECD Test Guidelines 107 (1995) and 117 (2004) the partition coefficient log POW can be estimated from the solubilities in 1-octanol and water. The partition coefficient of the test item was estimated on the basis of the water solubility and of the 1-octanol solubility to be below logPow = -2.5.

Description of key information

The logPow was determined to be below -2.5 at 20 °C.

Key value for chemical safety assessment

Additional information

A study according to OECD 107 and EU Method A.8 was performed to determine the partition coefficient octanol/water of the test item (reference 4.7 -1). The partition coefficient of the test item was estimated using the equation: Pow = c(1–octanol)/c(water).The water solubility of >1012 g/L, determined in the water solubility study, and the solubility in octanol of < 3.2 g/L, determined in this study, were used for the estimation of the partition coefficient. According to OECD Test Guidelines 107 (1995) and 117 (2004) the partition coefficient log POW can be estimated from the solubilities in 1-octanol and water. The partition coefficient of the test item was estimated on the basis of the water solubility and of the 1-octanol solubility to be below logPow = -2.5.