Registration Dossier
Registration Dossier
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EC number: 266-942-1 | CAS number: 67701-23-9
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:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- according to guideline
- Guideline:
- other: EPI Suite KowWin v. 1.68
- Principles of method if other than guideline:
- The principle of the method is to estimate KOW by using an atom/fragment contribution approach.
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- 15602-15-0: [Mg](OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
1555-53-9: [Mg](OC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
Linoleic acid, magnesium salts: [Mg](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Abietic acid, magnesium salts (constituent of rosin acid): [Mg](OC(=O)C(C(C(C(C(=C1)C=C(C2)C(C)C)C2)(CC3)C)C1)(C3)C)OC(=O)C(C(C(C(C(=C1)C=C(C2)C(C)C)C2)(CC3)C)C1)(C3)C - Key result
- Type:
- log Pow
- Partition coefficient:
- >= 4.37
- Remarks on result:
- other: Log Kow was estimated to >= 6.64 for constituent substances (KowWin v. 1.68).
- Remarks:
- log Kow = 4.37 for 15602-15-0 ([Mg](OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC). For 1555-53-9:, linoleic acid, magnesium salts and abietic acid, magnesium salts: log Kow > 4.4.
- Details on results:
- log Kow = 6.64 for 19583-54-1 ([Fe](OC(=O)C(CC)CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC). For 23335-74-2:, 7779-63-7 and abietic acid, iron salts: log Kow > 6.6.
- Conclusions:
- Log Kow was estimated to >= 6.64 for constituent substances (KowWin v. 1.68).
Reference
Description of key information
Lowest calculated log Kow for constituent substances (15602 -15 -0)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.37
Additional information
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