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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
17-02-2017 to 31-03-2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
yes
Remarks:
Calculation method
Principles of method if other than guideline:
The test substance contains as a main component disodium 7-amino-4-hydroxy-3-[[4-[( 4-sulphonatophenyl)azo ]phenyl]azo ]naphthalene-2-sulphonate. Owing to this substance is ionisable, it was no possible to strictly apply the OECD guideline to study its partition coefficient n-octanol/water.
For this reason both theoretical and experimental estimation were calculated applying ACD-Labs-5 software and the definition P o/w = C n-octanol / C water, at equilibrium and at controlled room temperature, respectively.
GLP compliance:
no
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Analytical method:
other: weighed residues in n-octanol and water
Key result
Type:
log Pow
Partition coefficient:
-1.68
Temp.:
22 °C
pH:
7.6
Key result
Type:
Pow
Partition coefficient:
0.021
Temp.:
22 °C
pH:
7.6
Conclusions:
The calculated log P o/w of the test substance is -1.68.

Description of key information

The value of the partition coefficient has been estimated from the solubility of the test substances in the pure solvents.

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.68
at the temperature of:
22 °C

Additional information