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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
Remarks:
OECD 107

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Sodium [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]hydroxychromate(1-)
EC Number:
233-357-8
EC Name:
Sodium [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]hydroxychromate(1-)
Cas Number:
10127-27-2
Molecular formula:
C16H11CrN5O8S.Na
IUPAC Name:
sodium [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]hydroxychromate(1-)

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
< -1.56
Temp.:
23 °C
pH:
8.9
Remarks on result:
other: mean of 6 measurements

Any other information on results incl. tables

Table 1: Results in detail

no.

stock solution [mL]

n-octanol [mL]

conc. in n-octanol phase [mg/L]

conc. in water phase [mg/L]

Log pow

A1 (pH 8.7)

5

10

28.3

771.2

- 1.44

A2 (pH 8.7)

5

10

27.7

769.2

- 1.44

B1 (pH 8.9)

10

10

19.7

811.4

- 1.62

B2 (pH 8.9)

10

10

19.6

810.4

- 1.62

C1 (pH 9.0)

20

10

21.4

819.1

- 1.58

C2 (pH 9.1)

20

10

18.6

825.8

- 1.65

mean

-

-

-

-

- 1.56

Table 2: Recovery rate of test substance

no.

test substance in stock solution

[mg]

test substance in n-octanol phase [mg]

test substance in water phase

[mg]

sum

[mg]

recovery rate

[%]

A1

4.27

0.28

3.68

4.14

97

A2

4.27

0.28

3.85

4.12

97

B1

8.54

0.20

8.11

8.31

97

B2

8.54

0.20

8.10

8.30

97

C1

17.08

0.21

16.38

16.60

97

C2

17.08

0.19

16.52

16.70

98

Applicant's summary and conclusion

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