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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
12.04.2018 - 13.04.2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

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)
Version / remarks:
Shake Flask Method, Adopted 27 July 1995
Deviations:
yes
Remarks:
Because of a low solubility of the test item in this medium, the stock solution was prepared in water pre-saturated with n-octanol. This deviation has no effect on the determination of log Pow of the test item.
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2,4-dihydroxybenzoic acid
EC Number:
201-946-9
EC Name:
2,4-dihydroxybenzoic acid
Cas Number:
89-86-1
Molecular formula:
C7H6O4
IUPAC Name:
2,4-dihydroxybenzoic acid
Test material form:
solid

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
0.98
Temp.:
23 °C
pH:
3.5

Any other information on results incl. tables

Table: Results of determination of partition coefficient

2.4-Dihydroxybenzoic acid in Stock solution

pH of Stock solution (water phase)

Ratio of water : n-octanol

Water phase

 n-octanol phase

Pow

log Pow

weight of sample

c (mg/l)

23°C

(mL/mL)

c (mg/l)

c (mg/l)

m1 = 12.47 mg

123.32

3.50

15:15

13.38

107.67

8.05

0.91

30:15

17.45

204.03

11.69

1.07

15:30

8.15

57.44

7.05

0.85

m2 =12.30 mg

120.93

3.51

15:15

11.09

140.52

12.67

1.10

30:15

15.81

197.77

12.51

1.10

15:30

7.72

55.41

7.17

0.86

Average

0.98

SD

0.12

RSD %

12.50

 

Standard extended uncertainty calculated is of 0.24 log units.

Applicant's summary and conclusion

Conclusions:
The Partition coefficient (log P) of the test item 2.4-Dihydroxybenzoic acid determined by shake-flask method is: log Pow = 0.98 ± 0.24 (pH 3.5, 23°C).
Executive summary:

The log Kow of the test substance is determined as 0,98 using the shake-flask method.