Registration Dossier
Registration Dossier
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EC number: 947-750-3 | CAS number: -
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
- Justification for type of information:
- LogPow testing on the substance has been carried out. However, no peaks were detected; thus, no LogPow could be derived during the test. Therefore, EpiSuite calculations on all identified components in the UVCB substance (>1wt%) have then been carried out and used. The below smiles notations were used:
C(O)C(O)C(O)
OCC(O)COCC(O)C(O)
OCC(O)COCC(O)COCC(O)CO
C(O)C(O)C(OC(=O)CCCCCCCCCCC)
OCC(O)COCC(O)C(OC(=O)CCCCCCCCCCC)
OCC(O)COCC(O)C(OC(=O)CCCCCCCCCCCCC)
OCC(O)COCC(O)C(OC(=O)CCCCCCCCCCCCCCC)
OCC(O)COCC(O)C(OC(=O)CCCCCCCCCCCCCCCCC)
OCC(O)COCC(O)COCC(OC(=O)CCCCCCCCCCC)CO
OCC(O)COCC(OC(=O)CCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC)
OCC(O)COCC(OC(=O)CCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC)
OCC(O)COCC(OC(=O)CCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC)
OCC(O)COCC(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC)
OCC(O)COCC(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCC)
OCC(O)COCC(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCC)
OCC(O)COCC(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC) - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- EpiSuite Calculations. US EPA Epi Suite v4.0 has been used.
- GLP compliance:
- no
- Other quality assurance:
- other: Internal DHI QA
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Calculations have been carried out for all identified components (>1wt%) in the UVCB-substance.
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 1.43 - <= 13.58
- Temp.:
- 25 °C
- pH:
- ca. 7
- Remarks on result:
- other:
- Remarks:
- Limit of components present >1wt%
- Conclusions:
- According to EpiSuite (US EPA Epi Suite v4.0) calculations, the logPow was found to vary between 1.43 to 13.58 for all substances present in >1wt% in the UVCB-substance. The concentration weighted average was found at 3.36-5.79.
- Executive summary:
According to EpiSuite ( US EPA Epi Suite v4.0) calculations, the logPow was found to vary between 1.43 to 13.58 for all substances present in >1wt% in the UVCB-substance. The concentration weighted average was found at 3.36-5.79
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Study period:
- 14-24 May, 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Justification for type of information:
- LogPow could not be calculated by HPLC-UV due to the sample not giving a suitable peak in the chromatography. Thus, it is concluded that the used HPLC-UV method (OECD 117) is not applicable for this type of UVCB substance.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- not specified
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Temp.:
- 20 °C
- pH:
- ca. 7
- Remarks on result:
- not determinable
- Remarks:
- Pow could not be calculated by HPLC-UV due to the sample not giving a suitable peak in the chromatography
- Details on results:
- Pow could not be calculated by HPLC-UV due to the sample not giving a suitable peak in the chromatography
- Conclusions:
- A test for LogPow according to OECD 117-HPLC has been carried out. However, logPow could not be determined by the HPLC-UV as the sample did not give a suitable peak in the chromatography.
- Executive summary:
A test for LogPow according to OECD 117-HPLC has been carried out. However, logPow could not be determined by the HPLC-UV as the sample did not give a suitable peak in the chromatography.
Referenceopen allclose all
Description of key information
A test for LogPow according to OECD 117 (HPLC) has been carried out. However, logPow could not be determined by the HPLC-UV method as the sample did not give any a suitable peak in the chromatography.
According to EpiSuite ( US EPA Epi Suite v4.0) calculations, the logPow was found to vary between 1.43 to 13.58 for all substances present in >1wt% in the UVCB-substance. The concentration weighted average was found at 3.36-5.79.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.79
- at the temperature of:
- 25 °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.
