Registration Dossier
Registration Dossier
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EC number: 935-847-3 | CAS number: 1369773-39-6
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:
- Nov 2008
- 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 - HPLC Method)
- GLP compliance:
- yes
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Purity >99%
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.72
- Temp.:
- 20 °C
- pH:
- 6.6
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.191
- Temp.:
- 20 °C
- pH:
- 6.6
- Conclusions:
- The estimation method was used for the determination of the Pow of AHU377 C9. The Pow and log Pow value of the test substance is Pow 0.191.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Feb - Aug 2014
- 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:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.9
- Temp.:
- 20 °C
- pH:
- 2
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.7
- Temp.:
- 20 °C
- pH:
- 5
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.66
- Temp.:
- 20 °C
- pH:
- 7
- Conclusions:
- The shake flask method at pH 2, 5 and 7 was applied for the determination of the partition coefficient (Pow) of the substance.
At pH 2 the Pow value of the test substance at 20°C was 7.2 × 10E2, which corresponds with a log Pow value of 2.9.
At pH 5 the Pow value of the test substance at 20°C was 5.0 × 10E1, which corresponds with a log Pow value of 1.7.
At pH 7 the Pow value of the test substance at 20°C was 2.2 × 10E-1, which corresponds with a log Pow value of -0.66.
Referenceopen allclose all
Description of key information
The estimation method was used for the determination of the Pow of AHU377 C9. The Pow and log Pow value of the test substance is Pow 0.191.
The shake flask method at pH 2, 5 and 7 was applied for the determination of the partition coefficient (Pow) of the substance.
At pH 2 the Pow value of the test substance at 20°C was 7.2 × 10E2, which corresponds with a log Pow value of 2.9.
At pH 5 the Pow value of the test substance at 20°C was 5.0 × 10E1, which corresponds with a log Pow value of 1.7.
At pH 7 the Pow value of the test substance at 20°C was 2.2 × 10E-1, which corresponds with a log Pow value of -0.66.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.66
- at the temperature of:
- 20 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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