Registration Dossier
Registration Dossier
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EC number: 207-317-5 | CAS number: 461-82-5
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- given by: Hess. Ministerium für Umwelt, Klimaschutz, Landwirtschaft und Verbraucherschutz, Wiesbaden, Germany
- Type of method:
- flask method
- Remarks:
- shake flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 4-(trifluoromethoxy)aniline
- EC Number:
- 207-317-5
- EC Name:
- 4-(trifluoromethoxy)aniline
- Cas Number:
- 461-82-5
- Molecular formula:
- C7H6F3NO
- IUPAC Name:
- 4-(trifluoromethoxy)aniline
- Test material form:
- liquid
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 208
- Temp.:
- 23 °C
- pH:
- 5.4
- Remarks on result:
- other:
- Remarks:
- rounded value
- Type:
- log Pow
- Partition coefficient:
- 2.3
- Temp.:
- 23 °C
- pH:
- 5.4
- Remarks on result:
- other:
- Remarks:
- rounded value
Any other information on results incl. tables
No significant dependence of the partition coefficient on the phase ratio and the concentration was observed.
Experiment: |
1A | 1B | 2A | 2B | 3A | 3B |
Phase ratio 1-octanol : aqueous phase |
1 : 2 | 1 : 2 | 1 : 1 | 1 : 1 | 2 : 1 | 2 : 1 |
Volume of the 1-octanol phase [mL] |
5 |
5 |
10 |
10 |
20 |
20 |
Volume of the aqueous phase [mL] |
10 |
10 |
10 |
10 |
10 |
10 |
Concentration in the 1-octanol phase [mg/L]* |
1109.8 |
1104.6 |
562.7 |
560.4 |
289.2 |
288.4 |
Concentration in the aqueous phase [mg/L]* |
5.02 |
4.63 |
3.34 |
3.31 |
1.28 |
1.28 |
Mass balance [mg] |
5.599 |
5.569 |
5.660 |
5.637 |
5.797 |
5.781 |
Mass balance [%] |
96 |
96 |
97 |
97 |
100 |
99 |
pH of the aqueous phase |
5.45 |
5.49 |
5.37 |
5.28 |
5.31 |
5.29 |
* rounded values
| Exp. | Pow* | Average Pow* | SD | RSD [%] | Log Pow |
1A 1B |
221 239 |
230 |
12.4 | 5.4 | 2.36 |
2A 2B |
168 169 |
169 | 0.6 | 0.3 | 2.23 |
3A 3B |
226 225 |
226 | 0.4 | 0.2 | 2.35 |
| Average Pow | Pow* = 208 | 34* | 16.4 | 2.3* | |
* rounded values
Applicant's summary and conclusion
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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