Registration Dossier
Registration Dossier
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EC number: 225-863-2 | CAS number: 5124-30-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- A "fragment constant" methodology is used to predict log P. For this, a structure is divided into fragments (atom or larger functional groups) and coefficient values of each fragment or group are summed together to yield the log KOW estimate.
- GLP compliance:
- no
- Type of method:
- other: other: Calculation by KOWWIN v1.67 © 2000 U.S. Environmental Protection Agency
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 6.11
- Remarks on result:
- not measured/tested
- Remarks:
- Temperature and pH are not specified. Any decomposition of the substance in water (e.g. due to hydrolysis, phytolysis) is not taken into account by the program.
- Executive summary:
The calculated log Pow of 4,4-methylenedicyclohexyl diisocyanate
is 6.11. But the result should only be considered of theoretical interest since the calculation program is adequate for substances which show stability in water (Currenta, 2009).
Reference
|
Description of key information
In accordance with column 2 of REACH Annex VII, the test cannot be performed, as the substance decomposes in water within a few hours (half-time 1.97 hours).
6.11(estimated)
Test substance (hydrolysis product):
(4,4’-methylenebis(cyclohexylamine))
- 2.03 (measured) (OECD 107)
- 2.55 ( calculated) (CLOGP3 program)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.11
- at the temperature of:
- 20 °C
Additional information
Reference:
- Currenta, 2009a
- EU PBT Working Group, 2003
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.
