2,4-dihydroxybenzoic acid

Partition coefficient

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

Test material information

Constituent 1

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.