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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Justification for type of information:
Testing for CAS 55184-72-0 is covered by tests with CAS 848588-96-5. Both substances are very similar since they differ mainly in the share of C13 (CAS 848588-96-5 C13> 80%; CAS 55184-72-0 > 95%). Hence, read across from CAS 848588-96-5 (source) to CAS 55184-72-0 (target) is considered as appropriate for both substances.
Reason / purpose:
read-across source
Key result
Type:
Pow
Partition coefficient:
0.031
Temp.:
20 °C
pH:
>= 6.35 - <= 6.57
Key result
Type:
log Pow
Partition coefficient:
-1.504
Temp.:
20 °C
pH:
>= 6.35 - <= 6.57

As laid out in the respective sections of the IUCLID dossier, the water solubility of the registered substance is >170 g/L the solubility in octanol is > 500 g/L (both at 20°C).

Based on this, the Pow is calculated as 2.941 and the logPow is 0.4685.

Testing for CAS 55184-72-0 is covered by tests with CAS 848588-96-5. Both substances are very similar since they differ mainly in the share of C13 (CAS 848588-96-5 C13> 80%; CAS 55184-72-0 > 95%). Hence, read across from CAS 848588-96-5 (source) to CAS 55184-72-0 (target) is considered as appropriate for both substances.

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 >170 g/L the solubility in octanol is > 500 g/L (both at 20°C). Based on this, the Pow is calculated as 2.941 and the logPow is 0.4685.

Testing for CAS 55184-72-0 is covered by tests with CAS 848588-96-5. Both substances are very similar since they differ mainly in the share of C13 (CAS 848588-96-5 C13> 80%; CAS 55184-72-0 > 95%). Hence, read across from CAS 848588-96-5 (source) to CAS 55184-72-0 (target) is considered as appropriate for both substances.

 

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

 

Description of key information

Pow: 2.941

logPow: 0.4685

Key value for chemical safety assessment

Log Kow (Log Pow):
0.469
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 >170 g/L the solubility in octanol is > 500 g/L (both at 20°C). Based on this, the Pow is calculated as 2.941 and the logPow is 0.4685.

 

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