Registration Dossier
Registration Dossier
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EC number: 609-772-9 | CAS number: 40018-25-5
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2000
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study was conducted by a well experienced research laboratory and in accordance with several internationally acknowledged guidelines.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 000
- Report date:
- 2000
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- yes
- Remarks:
- Acetonitrile/water was used as mobile phase instead of methanol / water
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- yes
- Remarks:
- Acetonitrile/water was used as mobile phase instead of methanol / water
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- yes
- Remarks:
- Acetonitrile/water was used as mobile phase instead of methanol / water
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Chlorobenzoylacetonitril
- IUPAC Name:
- Chlorobenzoylacetonitril
- Test material form:
- other: solid
- Details on test material:
- - Name of test material (as cited in study report): Chlorobenzoylacetonitril
- Physical state: solid
- Analytical purity: > 99%
- Purity test date: 22 Dec 1999
- Lot/batch No.: 46
- Storage condition of test material: stored at 4°C in original container
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 0.8
- Temp.:
- 30 °C
Any other information on results incl. tables
Capacity Factor k' and log Pow of the Reference compounds
| Compound | Number of analysis | Retention time [min]* | Capacity Factor | log k' | log Pow |
| Formamide (=dead time) | 3 | 3.76 | - | - | - |
| Reference compounds | |||||
| Methyl-4 -pyridylketon | 3 | 4.67 | 0.2 | -0.62 | 0.5 |
| Benzonitrile | 3 | 6.16 | 0.6 | -0.19 | 1.6 |
| Nitrobenzene | 3 | 6.83 | 0.8 | -0.09 | 1.9 |
| Methylbenzoate | 3 | 7.33 | 0.9 | -0.02 | 2.1 |
| Chlorobenzene | 3 | 10.52 | 1.8 | 0.25 | 2.8 |
*mean value of three measurement
The log k' values were plotted against log Pow values yielding the function below by linear regression:
y=0.379*x-0.808; R2=0.999
Capacity Factor k' and log Pow of the Test Substance
| Compound | Number of analysis | Retention time [min] | Capacity Factor | log k' | log Pow |
| 2 -Chlorbenzoylacetonitril | 1 | 5.07 | 0.3 | -0.52 | 0.8 |
| 2 -Chlorbenzoylacetonitril | 2 | 5.07 | 0.3 | -0.52 | 0.8 |
| 2 -Chlorbenzoylacetonitril | 3 | 5.07 | 0.3 | -0.52 | 0.8 |
| mean value | 5.07 | 0.3 | -0.52 | 0.8 |
Applicant's summary and conclusion
- Conclusions:
- The log Pow of Chlorobenzoylacetonitrile was determined to be 0.8 at 30°C.
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