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EC number: 245-048-5 | CAS number: 22509-74-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 02 May 2016 to 24 June 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- 1996
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Ethyl 1,3-dihydro-1,3-dioxo-2H-isoindole-2-carboxylate
- EC Number:
- 245-048-5
- EC Name:
- Ethyl 1,3-dihydro-1,3-dioxo-2H-isoindole-2-carboxylate
- Cas Number:
- 22509-74-6
- Molecular formula:
- C11H9NO4
- IUPAC Name:
- ethyl 1,3-dioxo-2,3-dihydro-1H-isoindole-2-carboxylate
- Test material form:
- solid
- Details on test material:
- - Appearance: white solid
- Storage conditions of test material: in refrigerator (2-8°C)
Constituent 1
Study design
- Analytical method:
- other: ultra performance liquid chromatography (UPLC)
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.1
- Temp.:
- 20 °C
- pH:
- >= 6.6 - <= 6.9
- Details on results:
- - The analysed concentration of the stock solution was 0.0304 g/L; nominal quantity of the substance in each test sample was 0.0608 mg.
- The recoveries were determined to be in the range 88% - 98%.
- No test substance was detected in the pretreated phases from the blank test sample.
- The log Pow values were within the criterion range of ± 0.3 log units.
Any other information on results incl. tables
Table: Shake-flask results
Ratio |
Analysed concentration |
Pow |
log Pow |
pH |
||
n-octanol |
water (1) |
individual |
mean |
|||
1:1 |
0.00882 |
0.00065 |
14 |
15 |
1.1 |
6.6 |
|
0.00911 |
0.00058 |
16 |
|
1.2 |
6.7 |
|
|
|
|
|
|
|
1:2 |
0.0129 |
0.00081 |
16 |
15 |
1.2 |
6.8 |
|
0.0117 |
0.00088 |
13 |
|
1.1 |
6.8 |
|
|
|
|
|
|
|
2:1 |
0.00718 |
0.00060 |
12 |
13 |
1.1 |
6.9 |
|
0.00712 |
0.00054 |
13 |
|
1.1 |
6.9 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Mean |
14 |
|
1.1 |
|
||
Standard deviation |
1.6 |
|
|
|
||
(1) Calculated by extrapolation of the calibration curve.
Applicant's summary and conclusion
- Conclusions:
- The log Pow of the substance Carbaethoxyphthalimid at neutral pH and 20°C was determined to be 1.1.
- Executive summary:
The partition coefficient was determined using the shake-flask method in a GLP study according to EC A.8, OECD 107 and OPPTS 830.7550.
Quantitative analysis was performed by UPLC. Recoveries were in the range of 88 -98%. The log Pow of the substance Carbaethoxyphthalimid at neutral pH and 20°C was determined to be 1.1.
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