Registration Dossier
Registration Dossier
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EC number: 201-744-0 | CAS number: 87-41-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 28 Feb - 1 Mar 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A.24 Partitition coefficient n-octanol/water
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Phthalide
- EC Number:
- 201-744-0
- EC Name:
- Phthalide
- Cas Number:
- 87-41-2
- Molecular formula:
- C8H6O2
- IUPAC Name:
- 1,3-dihydro-2-benzofuran-1-one
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.5
- Remarks on result:
- other: The test was performed at room temperature.
Any other information on results incl. tables
The sample was tested as received. No further preliminary treatment such as drying or milling was performed. The results given in this report only apply to the tested sample.
The program KOWWIN (part of EPI Suite) was used for calculating the log Pow of the test item. The calculated value was 0.7.
Therefore, according to the guidelines the partition coefficient n-octanol/water of the test item at room temperature was determined by the HPLC method. The shake flask method was not applicable due to the low water solubility.
log Pow of the test item -1 st injection
Test item | tR / min | k | log k | log Pw0 |
3H-2-benzofuran-1-one (Phthalide} | 1.41 | 0.15 | -0.83 | 0.6 |
log Pow of the test item - 2nd injection
Test item | tR / min | k | log k | log Pow |
3H-2-benzofuran-1-one (Phthalide) | 1.41 | 0.15 | -0.83 | 0.5 |
The partition coefficient Pow of the test item was determined to be:
log Pow= 0.5
Applicant's summary and conclusion
- Executive summary:
The log Pow of the test substance was 0.5.
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