Registration Dossier
Registration Dossier
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EC number: 208-436-5 | CAS number: 528-50-7
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- May 24, 2022
- 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)
- Version / remarks:
- July 27, 1995
- Deviations:
- yes
- Remarks:
- Two minor technical deviations without an effect on the study were noted.
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- LOT No.: L1021174
Appearance: white, dry powder
Expiry date: 28 October 2023
Storage condition: at room temperature, protected from light
Safety precautions: according to MSDS
Purity: 99.54 % - Analytical method:
- liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. -4.45
- Temp.:
- 21 °C
- pH:
- >= 8.01 - <= 8.69
- Conclusions:
- In a GLP-compliant study according to OECD TG 107, the logarithmic octanol-water partition coefficient was determined to be log Pow = - 4.45.
- Executive summary:
Cellobiose was quantified in a n-octanol/water system to determine the equilibrium concentration between the two phases. According to the OECD 107 guideline the shake flask method enables partition coefficient to be estimated in the log Pow range of -2 to 4. Based on the preliminary experiments the test item had a log Pow value of -2 or lower.
The analytical method used for the quantification of the test item concentration in the partition coefficient samples was based on HPLC with MS/MS detection.
Specificity of the method was acceptable, no interfering peaks were observed at the retention time of the analyte and the internal standard.
Linearity was acceptable over the range of 10 – 1000 ng/mL. The accuracy values of the calibrators and quality control samples were acceptable.
Based on the measured concentrations, the partitioning coefficient of Cellobiose between n-octanol and water phases is -4.45 at 21 ± 1°C.
Reference
Description of key information
In a GLP-compliant study according to OECD TG 107, the logarithmic octanol-water partition coefficient was determined to be log Pow = - 4.45.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -4.45
- at the temperature of:
- 21 °C
Additional information
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