Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 233-360-4 | CAS number: 10128-55-9
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018-04-10 to 2018-04-13
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- yes
- Remarks:
- standards were injected separately instead of simultaneously
- Qualifier:
- according to guideline
- Guideline:
- other: Council Regulation (EC) No. 266/2016, Method A.24
- Version / remarks:
- 2016
- Deviations:
- yes
- Remarks:
- standards were injected separately instead of simultaneously
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- signed 2017-01-03
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Store in the original container. Store container tightly closed in a dry, cool, dark and well ventilated place.
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 4.65
- Temp.:
- 24.8 °C
- pH:
- 4
- Type:
- log Pow
- Partition coefficient:
- 4.33
- Temp.:
- 24.8 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 2.66
- Temp.:
- 25.4 °C
- pH:
- 9
- Details on results:
- pH Values of the Buffer Solutions
pH Value 4 7 9
adjusted value 4.003 6.973 9.001
after analysis 4.005 6.816 8.832
Signal-to-Noise
The signal-to-noise ratio for the void time marker, reference items and the test item was > 3.
pH4
- Temperature [°C]: min. 24.8 / max. 25.0 / mean 24.8
- Void Time (t0) [min]: No.1: 0.420 / No.2: 0.418 / No.3: 0.419 / Mean: 0.419
- Calibration: The correlation coefficient r for the first and second calibration was > 0.9.
pH7
- Temperature [°C]: min. 24.7 / max. 24.8 / mean 24.8
- Void Time (t0) [min]: No.1: 0.417 / No.2: 0.419 / No.3: 0.417 / Mean: 0.418
- Calibration: The correlation coefficient r for the first and second calibration was > 0.9.
pH9
- Temperature [°C]: min. 25.2 / max. 25.5 / mean 25.4
- Void Time (t0) [min]: No.1: 0.433 / No.2: 0.431 / No.3: 0.431 / Mean: 0.432
- Calibration: The correlation coefficient r for the first and second calibration was > 0.9. - Conclusions:
- The partition coefficient log Pow of N-[2-(4-oxo-4H-3,1-benzoaxin-2-yl)phenyl] naphthalene-2-sulphonamide was determined to be:
pH4: 3.17, 4.65 (main) and 5.51 with a weighted average mean value of 4.65 (24.8 °C)
pH7: 3.15 and 4.66 with a weighted average mean value of 4.33 (24.8 °C)
pH9: 2.14 and 2.67 (main) with a weighted average mean value of 2.66 (25.4 °C)
Reference
Summarized Results of the Partition Coefficient of the Test Item
Test item |
Signal |
Peak area |
logPOW |
Weighted average mean |
||
1stCalibration |
2ndCalibration |
Mean |
||||
pH 4 |
1 |
0.10 |
3.17 ± 0.06 |
3.17 ± 0.06 |
3.17 |
4.65 |
2 |
99.37 |
4.65 ± 0.09 |
4.65 ± 0.09 |
4.65 |
||
3 |
0.54 |
5.51 ± 0.11 |
5.51 ± 0.11 |
5.51 |
||
pH 7 |
1 |
21.52 |
3.14 ± 0.06 |
3.15 ± 0.06 |
3.15 |
4.33 |
2 |
78.48 |
4.66 ± 0.08 |
4.66 ± 0.08 |
4.66 |
||
pH 9 |
1 |
2.47 |
2.14 ± 0.02 |
2.14 ± 0.02 |
2.14 |
2.66 |
2 |
97.53 |
2.67 ± 0.03 |
2.67 ± 0.03 |
2.67 |
||
POW : Partition coefficient(n-octanol / water)
CI : Confidence Interval
The identity of the test item signals was verified via additional MS‑detection.
Validity Criteria
- A signal-to-noise ratio > 3 was provided for signals of concern.
- The value of log POW derived from repeated measurements made under identical conditions and using the same set of reference items fell within a range of ± 0.1 log units.
- The correlation coefficient r for the calibration curves was > 0.9.
- The column temperature during the measurement did not vary more than± 1 °C.
Description of key information
The partition coefficient log POW of N-[2-(4-oxo-4H-3,1-benzoaxin-2-yl)phenyl] naphthalene-2-sulphonamide was determined to be:
pH4: 3.17, 4.65 (main) and 5.51 with a weighted average mean value of 4.65 (24.8 °C)
pH7: 3.15 and 4.66 with a weighted average mean value of 4.33 (24.8 °C)
pH9: 2.14 and 2.67 (main) with a weighted average mean value of 2.66 (25.4 °C)
Key value for chemical safety assessment
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
