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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.
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