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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:
2010
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

Constituent 1
Chemical structure
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

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
[ml]

n-octanol
[ml]

test substance
conc. in water
phase
[mg/l]

test substance
conc. in n-
octanol phase

[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
in stock
solution
[mg]

test substance
in water phase

[mg]

test substance
in n-octanol
phase
[mg]

sum
[mg]

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