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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
1988
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)
Deviations:
not specified
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
not specified
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
log Pow
Partition coefficient:
2.91
Temp.:
25 °C
pH:
6.1

- Preliminary estimation of the partition coefficient:

logPow= 3.98 (neutral, undissociated molecule); calculated by the fragment method of C. Hansch and A. Leo, computer program CLOGP 3.4

- Due to the fact that a first extraction experiment was carried out, in which some test substance and an unknown amount of impurities is eliminated, these substances are missing in the mass balance based on the actual weigh-in.

FINAL RESULTS

Partition Coefficient n-Octanol/aqu. phase at pH = 6.1

Overall mean value of n = 6 determinations

Pow= 821 ± 71 (Std.dev.)

log Pow = 2.91

Range: 2.95 ÷ 2.88

Conclusions:
The partition coefficient of test substance was determined to be logPow =2.91 at 25 °C at pH 6.1
Executive summary:

In this guideline (OECD 107) study, the partition coefficient of the test material (EC 404-360-3) was determined to be Log Pow =2.91 at 25 °C at pH 6.1

Description of key information

Study conducted to recognised testing guideline.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.91
at the temperature of:
25 °C

Additional information

The partition coefficient was determined by shake-flask method

logPow= 2.91 at 25°C at pH 6.1