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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:
supporting study
Study period:
From November 2001 to January 2002
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
For surfactants, partition coefficient is recommended to be calculated based on individual solubility ration in n-octanol and water
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
not specified
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
not specified
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Lot no: MRT-2518-038
Identity: C12-14 ADEBAC
Purity: 68 % C12-alkyl compound, 32 % C14-alkyl compound
Appearance: White solid
Storage: Room temperature, desiccated
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
ca. 4.9 - ca. 6.2
Temp.:
25 °C
pH:
ca. 5
Remarks on result:
other: log10Powvalues were determined to be 4.9, 5.2, 6.1 and >6.2 at pH 5 for the 4 primary components respectively
Key result
Type:
log Pow
Partition coefficient:
> 6.2
Temp.:
25 °C
pH:
ca. 7
Key result
Type:
log Pow
Partition coefficient:
> 6.2
Temp.:
25 °C
pH:
ca. 9

Results

pH 5 test

Primary components 1, 2 and 3 were found to have log10Pow values of 4.9, 5.2 and 6.1 respectively. Primary component 4 did not elute before DDT, yielding a log10Pow value of greater than 6.2.

pH 7 and pH 9 tests

Primary components were found to elute before DDT, yielding log10Pow values of greater than 6.2.

Conclusions:
Under study conditions, the test substance were found to have log10 Pow values of 4.9->6.2 at pH 5 and >6.2 at pH 7 & 9 at 25°C.
Executive summary:

A study was conducted to determine the partition coefficient of the test substance, C12 -14 ADEBAC (active not specified), using the HPLC method, according to the OECD Guideline 117 and EU Method A.8, in compliance with GLP. The effect of pH on the partitioning behavior of the test substance was difficult to predict, therefore the test was conducted over a range of pH values (5, 7 and 9). Under study conditions, the four primary components of test substance (i.e., the isomers of the C12 -14 alkyl chains of ADEBAC) were found to have log10Powvalues of 4.9, 5.2, 6.1 and >6.2 at pH 5; all >6.2 at pH 7; all >6.2 at pH 9 at 25°C (Sydney 2002).

Description of key information

Partition coefficient of the test substance was determined using the HPLC method, according to the OECD Guideline 117 and EU Method A.8 (Sydney, 2002) as well based on individual solubility in n-octanol and water according to the calculation method specified in OECD Guideline 107 and EU A.8 for surface active agents (Lonza, 2018).

Key value for chemical safety assessment

Log Kow (Log Pow):
2.48
at the temperature of:
20 °C

Additional information

Partition coefficient based on HPLC method: 4.9->6.2 at pH 5 and >6.2 at pH 7 & 9 at 25°C; HPLC method is not applicable for surfactants;

Partition coefficient (calculated based on solubility ratio in n-octanol and water/CMC): 2.48 at 20-25 °C;

As the test substance is a surfactant, in line with the ECHA R.7a Guidance, the more reliable log Kow calculated based on solubility ratio, has been taken forward for hazard/risk assessment.