Registration Dossier
Registration Dossier
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EC number: 413-010-9 | CAS number: 6613-44-1 DMBC
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
- Study period:
- 21 July 1992 - 4 February 1993
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Calculation conducted in accordance with generally accepted scientific principles.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 993
- Report date:
- 1993
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: The calculated partition coefficient was determined according to the procedures given in Chemical Reviews Vol 71, Number 6, p 525 - 616, A. Leo, C. Hansch and D. Elkins, December 1971.
- Principles of method if other than guideline:
- It is usual practice to determine the partition coefficient of a test substance using the flask shaking method described in EEC Annex V, test method A8. The rapid reaction of DMBC with water means that this method cannot be used. In cases where technical difficulty is encountered it is permissible to use an alternative HPLC method described in OECD Guideline 117 but this uses reverse phase conditions which will convert DMBC to its acid. A further alternative is to determine a theoretical calculated value for the partition coefficient. Calculation methods are well established and are detailed in the EEC flask shaking method.
- GLP compliance:
- yes
- Type of method:
- other: Calulation
- Partition coefficient type:
- other: Calculation of octanol-water Pow
Test material
- Reference substance name:
- 3,5-dimethylbenzoyl chloride
- EC Number:
- 413-010-9
- EC Name:
- 3,5-dimethylbenzoyl chloride
- Cas Number:
- 6613-44-1
- Molecular formula:
- C9H9ClO
- IUPAC Name:
- 3,5-dimethylbenzoyl chloride
- Details on test material:
- MMBC
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- ca. 2.85
- Remarks on result:
- other: calculated
- Details on results:
- The same value is obtained when calculated in two different ways.
Applicant's summary and conclusion
- Conclusions:
- The log Pow of DMBC has been calculated as:
Log P = approximately 2.85 - Executive summary:
The log Pow of DMBC has been calculated as approximately 2.85 in accordance with the procedures given in Chemical Reviews Vol 71, Number 6, p 525 - 616, A. Leo, C. Hansch and D. Elkins, December 1971.
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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