Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 442-450-4 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 26-Mar to 27-Mar-2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- KOWWIN© Version 1.6, Log octanol-water partition coefficient estimation program for Microsoft Windows 3.1, June 1998.
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- other: KOWWIN© Version 1.6 "Log octanol-water partition coefficient estimation program for Microsoft Windows 3.1, June 1998.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- The Swiss GLP Monitoring Authorities
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 16.5
- Remarks on result:
- other: calculation method, no temperature and pH available.
Reference
Results
Neither the HPLC-method according to OECD Guideline No. 117 nor the flask-shaking method according to OECD Guideline No. 107 were applicable for the determination of the partition coefficient of SUMILIZER GP. As described in the guidelines, experimental methods are only applicable in the log Pow range from -2 to 6, so no experimental test was performed.
The log Pow value for the test material was estimated from its individual solubility in n-octanol and in water, respectively.
The n-octanol solubility of the test material was determined to be 72.9 g/L.
The water solubility of the test item was stated to be < 0.15 mg/I in RCC study 841232.
Thus, the partition coefficient, log Pow, of the test material was calculated to be:
log Pow = log 72.9 x 1000 mg/L > 5.7
< 0.15 mg/L
Additionally, an estimation was performed using a model calculation based on the theoretical fragmentation of the molecule into substructures. The partition coefficient, was calculated to be log Pow = 16.5
Description of key information
log Kow = 16.5 (QSAR calculation, KOWWIN© Version 1.6)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 16.5
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.
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.
