Registration Dossier
Registration Dossier
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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.
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EC number: 944-341-1 | 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:
- 2017-09-28
- 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
- Justification for type of information:
- 1. SOFTWARE
EPI Suite v.4.11
2. MODEL (incl. version number) - KOWWIN v.1.68
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : O=C(CC1C(=O)(O[Ca]([Na])OC(=O)(C(CC(=O)O([Na]))N1)))O
MOL FOR: C8 H8 N1 O8 Na2 Ca1
MOL WT : 332.21
CAS: 1629244-35-4
https://www.epa.gov/tsca-screening-tools/using-predictive-methods-assess-exposure-and-fate-under-tsca - Qualifier:
- no guideline required
- Version / remarks:
- calculation in EPI Suite v. 4.11
- Principles of method if other than guideline:
- Calculation in computer program EPI Suite KOWWIN v.1.68
- Type of method:
- other: calculation by computer programm EPI Suite KOWWIN v. 1.68
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- -10.15
- Remarks on result:
- other: calculation in computer programm EPI Suite KOWWIN v.1.68
- Conclusions:
- A log Kow value of -10.15 was ccalculated.
- Executive summary:
The N-octanol/water coefficient has been calculated by usisng computer program EPI Suite KOWWIN v.1.68. The calculated value for CaIDHA is - 10.15.
Reference
Description of key information
The log Kow value -10.15 for the substance CaIDHA was calculated in computer program EPI Suite KOWWIN v.1.68.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -10.15
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.
