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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: log Pow based on octanol and water solubility according to guideline OECD 107.
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
other: calculated based on information provided in OECD 107
Partition coefficient type:
octanol-water
Type:
Pow
Partition coefficient:
0.031
Temp.:
20 °C
pH:
>= 4.93 - <= 4.95
Remarks on result:
other: determined in water phase
Type:
log Pow
Partition coefficient:
-1.504
Temp.:
20 °C
pH:
>= 4.93 - <= 4.95
Remarks on result:
other: determined in water phase

As laid out in the respective sections of the IUCLID dossier, the water solubility of the registered substance is 74.15 g/L the solubility in octanol is 2.32 g/L (both at 20°C).

Based on this, the Pow is calculated as 0.03128 and the logPow is -1.504.

Conclusions:
Pow: 0.03128 L/kg
logPow: -1.504.
Executive summary:

In the Klimisch 1 non-GLP study from Gries (2013) the logPow was determined according to OECD 107 based on the water and n-octanol solubility of the registered substance.

The registered sulfosuccinate is a surface active substance. According to the OECD GUIDELINE FOR THE TESTING OF CHEMICALS 107 Adopted by the Council on 27th July 1995: Partition Coefficient (n-octanol/water): Shake Flask Method, paragraph 19 "the results of the preliminary estimation (when the shake flask method is not applicable, e.g. surface active material, a calculated value or an estimate based on the individual n-octanol and water solubilities should be provided)".

 

According to the OECD 107 (paragraph 5) "the partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting of two largely immiscible solvents. In the case of n-octanol and water:

 

Pow= C octanol/ C water"

with

C octanol: maximum concentration in octanol and

C water: maximum concentration in water

 

"The partition coefficient, being the quotient of two concentrations, or the quotient of the fractions of the test substance in the two phases multiplied by a fixed volume ratio, is dimensionless and is usually given in the form of its logarithm to base ten."

 

As laid out in the respective sections of the IUCLID dossier, the water solubility of the registered substance is 74.15 g/L the solubility in octanol is 2.32 g/L (both at 20°C). Based on this, the Pow is calculated as 0.03128 and the logPow is -1.504.

 

The thus determined log Pow is considered to be acceptable for the risk assessment.

 

Description of key information

Pow: 0.03128 L/kg

logPow: -1.504.

 

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.504
at the temperature of:
20 °C

Additional information

In the Klimisch 1 non-GLP study from Gries (2013) the logPow was determined according to OECD 107 based on the water and n-octanol solubility of the registered substance.

The registered sulfosuccinate is a surface active substance. According to the OECD GUIDELINE FOR THE TESTING OF CHEMICALS 107 Adopted by the Council on 27th July 1995: Partition Coefficient (n-octanol/water): Shake Flask Method, paragraph 19 "the results of the preliminary estimation (when the shake flask method is not applicable, e.g. surface active material, a calculated value or an estimate based on the individual n-octanol and water solubilities should be provided)".

 

According to the OECD 107 (paragraph 5) "the partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting of two largely immiscible solvents. In the case of n-octanol and water:

 

Pow= C octanol/ C water"

with

C octanol: maximum concentration in octanol and

C water: maximum concentration in water

 

"The partition coefficient, being the quotient of two concentrations, or the quotient of the fractions of the test substance in the two phases multiplied by a fixed volume ratio, is dimensionless and is usually given in the form of its logarithm to base ten."

 

As laid out in the respective sections of the IUCLID dossier, the water solubility of the registered substance is 74.15 g/L the solubility in octanol is 2.32 g/L (both at 20°C). Based on this, the Pow is calculated as 0.03128 and the logPow is -1.504.

 

The thus determined log Pow is considered to be acceptable for the risk assessment.