Registration Dossier
Registration Dossier
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EC number: 601-485-7 | CAS number: 117570-93-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 28 October 2008 - 19 December 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: This study has been performed according to OECD and EC guidelines and according to GLP principles.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-[2-(carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid
- EC Number:
- 601-485-7
- Cas Number:
- 117570-93-1
- Molecular formula:
- C17 H16 O5
- IUPAC Name:
- 2-[2-(carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid
- Reference substance name:
- 2-(6-carboxy-2,3-dimethylphenoxy)-benzeneacetic acid
- IUPAC Name:
- 2-(6-carboxy-2,3-dimethylphenoxy)-benzeneacetic acid
- Details on test material:
- Identification: ASA404 C7
Molecular formula: C17H16O5
Molecular weight: 300.31
CAS Number: 117570-93-1
Description: Off white powder (determined at NOTOX)
Batch: 072301
Purity: 99.9%
Test substance storage: At room temperature in the dark
Stability under storage conditions: Stable
Expiry date: 18 March 2009
Constituent 1
Constituent 2
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 2.2
- Temp.:
- 25 °C
- pH:
- 2
- Details on results:
- No impurities with a peak area percentage of > 1% of the total peak area were observed.
Applicant's summary and conclusion
- Conclusions:
- The results of the Rekker calculation method and the HPLC method differ more than 0.3 log units. Since the HPLC method is a more accurate method, the results of this method are reported.
The Pow and log Pow value of ASA404 C7 is:
Log Pow < 0.3 at neutral pH and Log Pow is 2.2 at pH 2.
No impurities with a peak area percentage of > 1% of the total peak area were observed.
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