Registration Dossier
Registration Dossier
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EC number: 454-190-9 | CAS number: 324763-51-1
Partition coefficient
Some information in this page has been claimed confidential.
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- 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
Data source
Referenceopen allclose all
- Reference Type:
- other: EPIWIN calculation
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
- Reference Type:
- other: Estimation software
- Title:
- Unnamed
- Year:
- 2 012
Materials and methods
- Principles of method if other than guideline:
- Estimation of log Kow using KOWWIN v1.68
- GLP compliance:
- no
- Type of method:
- other: estimation method
- Partition coefficient type:
- octanol-water
Test material
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -1.27
- Temp.:
- 25 °C
- Remarks on result:
- other: The substance is within the applicability domain of the model.
Any other information on results incl. tables
TYPE |
NUM |
LOGKOW FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
-CH3 [aliphatic carbon] |
0.5473 |
1.0946 |
Frag |
1 |
-CH2- [aliphatic carbon] |
0.4911 |
0.4911 |
Frag |
2 |
-NH2 [aliphatic attach] |
-1.4148 |
-2.8296 |
Frag |
1 |
-C(=O)N [aliphatic attach] |
-0.5236 |
-0.5236 |
Frag |
1 |
-tert Carbon [3 or more carbon attach] |
0.2676 |
0.2676 |
Const |
|
Equation Constant |
|
0.2290 |
Log Kow = -1.2709 |
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Applicant's summary and conclusion
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.
