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EC number: 204-303-0 | CAS number: 119-17-5
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Recent study according to OECD guidelines.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- m-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
- EC Number:
- 204-303-0
- EC Name:
- m-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
- Cas Number:
- 119-17-5
- Molecular formula:
- C10H10N2O4S
- IUPAC Name:
- 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid
Constituent 1
Study design
- Analytical method:
- other: UV-VIS
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -2.05
- Temp.:
- 23 °C
Any other information on results incl. tables
Results in detail:
determ. no. |
stock solution |
n-octanol |
test substance |
test substance [mg/l] |
log Pow |
Al |
5 |
10 |
772.0 |
5.7 |
-2.13 |
A2 |
5 |
10 |
767.4 |
5.6 |
-2.13 |
B1 |
10 |
10 |
776.2 |
6.8 |
-2.06 |
B2 |
10 |
10 |
756.1 |
7.0 |
-2.03 |
Cl |
20 |
10 |
781.7 |
7.8 |
-2.00 |
C2 |
20 |
10 |
780.6 |
8.9 |
-1.94 |
mean |
--- |
--- |
--- |
--- |
-2.05 |
Recovery rate of test substance:
determ. no. |
test substance |
test substance [mg] |
test substance |
sum |
Recovery rate |
Al |
4.01 |
3.86 |
0.06 |
3.92 |
98 |
A2 |
4.01 |
3.84 |
0.06 |
3.89 |
97 |
B1 |
8.01 |
7.76 |
0.07 |
7.83 |
98 |
B2 |
8.01 |
7.56 |
0.07 |
7.63 |
95 |
Cl |
16.02 |
15.63 |
0.08 |
15.71 |
98 |
C2 |
16.02 |
15.61 |
0.09 |
15.70 |
98 |
Applicant's summary and conclusion
- Conclusions:
- The Log Pow of the test substance is - 2.05 at 23°C
- Executive summary:
The partition coefficient (log Pow) of the test substance Pyrazolic acid 3 was determined according to the OECD Guideline for the Testing of Chemicals 107.
Result:
Determination No.
Ratio n-octanol : water
Log Pow
Al
2 :
1
-2.13
A2
2 :
1
-2.13
B1
1:
1
-2.06
B2
1:
1
-2.03
Cl
1:
2
-2.00
C2
1:
2
-1.94
Mean
---
-2.05
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