Registration Dossier
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EC number: 237-185-4 | CAS number: 13680-35-8
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:
- April - September 2022
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- This new study was performed on request of ECHA to determine a possible ionization of the test item at different pH-values
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Remarks:
- This study was conducted on request of ECHA at different pH-values to determine a possible ionization of the test item.
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- TEST MATERIAL
- Substance identification/name in the report: LZ 596
- Molecular formula: C21H30N2
- Batch no.: 1852
- Date of production: 09 September 2020
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage conditions: Controlled room temperature (15-25 ºC, below 70 RH%), protected from light and humidity.
- Stability under test conditions: stable for min. 3 years from manufacturing date
- Expiry date: 09 September 2023
- Safety precautions: Routine safety precautions (lab coat, gloves, safety glasses, face mask) for unknown materials were applied to assure personnel health and safety - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.99
- Temp.:
- 25 °C
- pH:
- 3
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.29
- Temp.:
- 25 °C
- pH:
- 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.29
- Temp.:
- 25 °C
- pH:
- 9
- Conclusions:
- Under the above detailed chromatographic conditions, applying environmentally relevant pH conditions (pH 7), the test item, LZ 596 had a log Pow value of 4.29. Applying basic pH conditions (pH 9), the test item had the same log Pow value, which indicated that the molecule was presumably in the same non-ionised form. At a low pH (3) the apparent log Pow value was slightly lower (3.99) which is probably related to ionisation of the test item.
- Executive summary:
This study was carried out according to OECD method 117, using the HPLC-method at different pH-values on request of ECHA to determine a possible ionization of the test item. Under the above detailed chromatographic conditions, applying environmentally relevant pH conditions (pH 7), the test item, LZ 596 had a log Pow value of 4.29. Applying basic pH conditions (pH 9), the test item had the same log Pow value, which indicated that the molecule was presumably in the same non-ionised form. At a low pH (3) the apparent log Pow value was slightly lower (3.99) which is probably related to ionisation of the test item.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- September - October 2014
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study had to be repeated on request of ECHA due to a possible ionization of the test item (not measured in this study)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- TEST MATERIAL
- Substance identification/name in the report: LZ 596
- Molecular formula: C21H30N2
- Batch no.: 1229
- Analysis date: August 12, 2014
- Date of production: August 11, 2014
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage conditions: Controlled room temperature (15-25 ºC, below 70 RH%), protected from light and humidity.
- Stability under test conditions: stable for min. 3 years from manufacturing date
- Expiry date: August 10, 2017
- Safety precautions: Routine safety precautions (lab coat, gloves, safety glasses, face mask) for unknown materials were applied to assure personnel health and safety. - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.4
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not measured
- Conclusions:
- The partition coefficient n-octabol/water was determined to be log Pow = 4.4 at 25°C.
- Executive summary:
The study was carried out according to EC method A.8, using the HPLC method. The partition coefficient n-octanol/water was calculated based on the calibration data obtained with the reference substances and found to be log Pow = 4.4 at 25°C.
Referenceopen allclose all
Description of key information
Two studies were conducted. The first test had to be repeated on request of ECHA to determine a possible ionization of the test item.
The initial study was carried out according to EC method A.8, using the HPLC method, without measurement of the ph-Value. The partition coefficient n-octanol/water was calculated based on the calibration data obtained with the reference substances and found to be log Pow = 4.4 at 25°C. This test was used as supporting study.
The second test was carried out according to OECD method 117, using the HPLC-method at different pH-values on request of ECHA to determine a possible ionization of the test item. Under the above detailed chromatographic conditions, applying environmentally relevant pH conditions (pH 7), the test item, had a log Pow value of 4.29. Applying basic pH conditions (pH 9), the test item had the same log Pow value, which indicated that the molecule was presumably in the same non-ionised form. At a low pH (3) the apparent log Pow value was slightly lower (3.99) which is probably related to ionisation of the test item. This test was considered to be the key study.
In conclusion, it could be shown that the pH value has no or only a minor impact on the Log Pow.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.29
- at the temperature of:
- 25 °C
Additional information
Source: GLP-report
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
