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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2004-04-23 to 2004-06-02
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:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
other: UV spectrophotometry
Key result
Type:
log Pow
Partition coefficient:
> 5.1
Temp.:
20 °C
pH:
>= 5.57 - <= 6.36
Remarks on result:
other: mean log Pow of six determinations
Details on results:
The HPLC calibration was linear up to 100 mg test material/l and that for the UV spectrophotometry up to 20 mg/l, with regression coefficients of 0.9997 and 0.9954 respectively. The mean value for log 10Pow for six replicate determinations was greater than 5.1
Conclusions:
In a GLP study conducted according to OECD guideline 107, the octanol:water partition coefficient (log10Pow) for MRD-02-375 (EC# 457-320-2) was greater than 5.1 at 20oC.
Executive summary:

In a GLP study conducted according to OECD guideline 107, the n-octanol:water partition coefficient of EC# 457-320-2 (MRD-02-375) was determined using the shake-flask method. Concentrations of the test material in the organic phase were determined by HPLC and in the aqueous phase by UV spectrophotometry.

The HPLC calibration was linear up to 100 mg test material/l and that for the UV spectrometry up to 20 mg/l, with regression coefficients of 0.9997 and 0.9954 respectively. The mean value for log 10Pow for six replicate determinations was greater than 5.1 at 20oC.

Description of key information

In a GLP study conducted according to OECD guideline 107, the octanol:water partition coefficient (log10Pow) for EC# 457-320-2 was greater than 5.1 at 20oC. 

Key value for chemical safety assessment

Log Kow (Log Pow):
5.1
at the temperature of:
20 °C

Additional information

A GLP study is also available on a similar chemical, EC: 434 -650 -5, which also demonstrates a log Pow > 4.81.