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EC number: 222-357-3 | CAS number: 3444-17-5
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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.
Referenceopen allclose all
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
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