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EC number: 202-902-1 | CAS number: 100-93-6
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:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 4'-anilinotoluene-4-sulphonanilide
- EC Number:
- 202-902-1
- EC Name:
- 4'-anilinotoluene-4-sulphonanilide
- Cas Number:
- 100-93-6
- Molecular formula:
- C19H18N2O2S
- IUPAC Name:
- 4'-anilinotoluene-4-sulphonanilide
Constituent 1
Study design
- Analytical method:
- photometric method
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.58
- Temp.:
- 25 °C
- pH:
- 7
Any other information on results incl. tables
The linear relation of logPowand logk
The logPow values of each standards can be obtained from “OECD 117 Partition Coefficient (n-octanol/ water), HPLC method”.
The determination result of the linearity is shown in Table
No. |
standards |
logPow |
Retention time /min |
Average value of retention time/min |
capacity factor k |
logk |
1 |
Formamide |
/ |
2.132 |
2.132 |
0 |
/ |
|
|
|
|
|
|
2.132 |
2 |
Acetanilide |
1.0 |
2.626 |
2.626 |
0.2317 |
-0.6351 |
|
|
|
|
|
|
2.626 |
3 |
Phenol |
1.5 |
2.832 |
2.832 |
0.3283 |
-0.4837 |
|
|
|
|
|
|
2.832 |
4 |
2-Nitrophenol |
1.8 |
3.639 |
3.639 |
0.7068 |
-0.1507 |
|
|
|
|
|
|
3.639 |
5 |
Anisole |
2.1 |
4.502 |
4.504 |
1.1126 |
0.0463 |
|
|
|
|
|
|
4.506 |
6 |
Toluene |
2.7 |
6.316 |
6.316 |
1.9625 |
0.2928 |
|
|
|
|
|
|
6.316 |
7 |
Bromobenzene |
3.0 |
6.702 |
6.702 |
2.1435 |
0.3311 |
|
|
|
|
|
|
6.702 |
8 |
Naphthalene |
3.6 |
7.502 |
7.502 |
2.5188 |
0.4012 |
|
|
|
|
|
|
7.459 |
The determination result of the partition coefficient
Injection |
Retention time/min |
capacity factor k |
log k |
log Pow |
Average value |
1 |
5.029 |
1.3588 |
0.1332 |
2.58 |
2.6 |
|
2 |
5.029 |
1.3588 |
0.1332 |
2.58 |
Applicant's summary and conclusion
- Conclusions:
- log Pow =2.6
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