Registration Dossier
Registration Dossier
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EC number: 249-535-3 | CAS number: 29253-36-9
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key 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
- Justification for type of information:
- QSAR calculation
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Q)SAR calculation with calculation program US EPA EPI Suite v4.11, program component KOWWIN (v1.68); molecular structure is divided into fragments and log Kow is estimated by summing together coefficients for each fragment (AFC method; US EPA 2012. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11; United States Environmental Protection Agency, Washington, DC, US).
- Type of method:
- other: calculation
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 4.625
- Remarks on result:
- other: value calculated
Reference
Description of key information
For isopropylnaphthalene, a log Kow of 4.625 was calculated, using the calculation program KOWWIN v1.68 included in US EPA EPI Suite 4.11.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.63
- at the temperature of:
- 20 °C
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.
