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EC number: 201-946-9 | CAS number: 89-86-1
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:
- 2 018
- 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
- 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
Constituent 1
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.
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