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Physical & Chemical properties

Partition coefficient

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Administrative data

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
January 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
comparable to guideline study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
other: Inductively Coupled Plasma
Key result
Type:
log Pow
Partition coefficient:
> 4.6
Temp.:
20 °C
pH:
>= 5 - <= 6
Details on results:
ICP analysis of the aqueous phase was below the detection limit, 1 ppm. All the material was dissolved into the organic phase. The organic phase was titrated to be 3.52% Cr .

A partition coefficient theoretically cannot be calculated since the molar concentration in water is 0. The 1 ppm value for water was considered as reliable so that we could get the reported value.
Conclusions:
The partition coeeficient of the test material was estimated to be: log Kow > 4.6.
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
QSAR prediction
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
other:
Version / remarks:
accepted calculation method
Principles of method if other than guideline:
The partiton coefficient of the test substance was determined by calculation. This calculation was performed by the computer program from US-EPA (EPIWIN software KOWWIN v1.68).
GLP compliance:
no
Type of method:
other: QSAR method
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
7.64
Remarks on result:
other: No further details are available.
Details on results:
No further details are available.
Conclusions:
The partition coeffient of the substance was estimated with a scientifically accepted calculation method using the US-EPA software KOWWIN v1.68. The partition coefficient of the substance was calculated to be 7.64.

Description of key information

Under the experimental conditions of the test carried out according to a method similar to OECD 107 guideline (flask method), the partition coefficient of the test item was estimated be log Kow > 4.6 at 20°C.

Furthermore, the partition coeffient of the substance was estimated with a scientifically accepted calculation method using the US-EPA software KOWWIN v1.68. The partition coefficient of the substance was calculated to be 7.64.

Key value for chemical safety assessment

Log Kow (Log Pow):
7.64

Additional information