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Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012

Materials and methods

Test guidelineopen allclose all
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Guideline:
EU Method A.8 (Partition Coefficient)
GLP compliance:
yes (incl. QA statement)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
3,4-diaminobenzenesulphonic acid
EC Number:
231-274-1
EC Name:
3,4-diaminobenzenesulphonic acid
Cas Number:
7474-78-4
Molecular formula:
C6H8N2O3S
IUPAC Name:
3,4-diaminobenzene-1-sulfonic acid

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-3.42
Temp.:
22 °C
pH:
> 3 - < 4

Any other information on results incl. tables

The partition coefficient (1-octanol/water) of 3,4-diaminobenzenesulfonic acid was determined according to European Commission Council Regulation (EC) No 440/2008, Annex, Part A, A.8., Shake Flask Method. Three different mixtures of double distilled water, 1-octanol, a blank and the stock solution were prepared. The concentrations of the test item in none of these phases exceeded the maximum concentration of 0.01 mol/L. The test item concentration was determined by HPLC. For calibration the external standard method was applied. The found log POW value is outside the shake flask method range of log POW -2 to +4. Nonetheless the determined partition coefficents were in the range of +- 0.3 log units. The partition coefficient (1-octanol / water) of 3,4 -diaminobenzenesulfonic acid is

POW = 3.8222 x10-4 ± 3.8317 x10 -5

log POW =- 3.42 ± 0.04

Applicant's summary and conclusion