Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 263-009-0 | CAS number: 61788-81-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 013
Materials and methods
- Principles of method if other than guideline:
- EPI Suite KowWin v. 1.68
- GLP compliance:
- not specified
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-ethylhexanoic acid, iron salt
- EC Number:
- 243-169-8
- EC Name:
- 2-ethylhexanoic acid, iron salt
- Cas Number:
- 19583-54-1
- Molecular formula:
- C8H16O2.xFe
- Reference substance name:
- Iron oleate
- EC Number:
- 245-591-8
- EC Name:
- Iron oleate
- Cas Number:
- 23335-74-2
- Molecular formula:
- C18H34O2.xFe
- IUPAC Name:
- iron(2+) dioctadec-9-enoate
- Reference substance name:
- Iron (9Z,12Z)-octadeca-9,12-dienoate
- EC Number:
- 231-930-7
- EC Name:
- Iron (9Z,12Z)-octadeca-9,12-dienoate
- Cas Number:
- 7779-63-7
- Molecular formula:
- C18H32O2.xFe
- IUPAC Name:
- iron(2+) dioctadeca-9,12-dienoate
- Reference substance name:
- Abietic acid, iron salts
- IUPAC Name:
- Abietic acid, iron salts
- Test material form:
- not specified
- Details on test material:
- 19583-54-1: [Fe](OC(=O)C(CC)CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
23335-74-2: [Fe](OC(=O)CCCCCCC/C=C\CCCCCCCC)(OC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
7779-63-7: [Fe](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Abietic acid, iron salts (constituent of rosin acid): [Fe](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)OC(=O)C(C(C(C(C(=C1)C=C(C2)C(C)C)C2)(CC3)C)C1)(C3)C
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- >= 6.64
- Remarks on result:
- other: Lowest calculated log Kow for constituent substances (19583-54-1)
- 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.
Applicant's summary and conclusion
- Conclusions:
- Log Kow was estimated to >= 6.64 for constituent substances (KowWin v. 1.68).
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.
