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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
19.March.2008-04.July.2008
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Principles of method if other than guideline:
Objective of the test:
The objective of the test was to determine the partition coefficient of LCE07102 by calculation.
Principle:
The partition coefficient is defined as the ratio of the equilibrium concentrations of the test substance in a two-phase system consisting of two largely immiscible solvents. n-Octanol and water are generaly used:
Pow = Cn-octanol / Cwater
The partition coefficient (Pow) therefore is the quotient of two concentrations and is usually given in the form of its logarithm to base 10 (log Pow).
The methods given in the Commission Directive 92/69/EEC - A8 method (1992) are not usable when the substance shows tension-active properties.
The partition coefficient can then be obtained by calculation. The obtained value is a trend of the value of the partition coefficient.
GLP compliance:
yes (incl. QA statement)
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
TEST ITEM
Identification LCE07102
Identification of the flask LCE07102, Req Nr: 24/07/00262/05,
Net: 2,500 L
Batch LCE07102
Expiry date Not provided
Supplier SEPPIC
Appearance Yellow liquid
Packaging 2 White opaque plastic flasks
Quantity received 2 x 1 Kg
Date of the reception December 12, 2007
Storage In darkness at room temperature
Identification number for the study 07-157
Analytical method:
other: using EPI Suite KOWWINTM software
Key result
Type:
log Pow
Partition coefficient:
4.3
Remarks on result:
other: Calculation

The value of the partition coefficient of the substances contained in LCE07102 is

given in the following table:

Substances contained in LCE07102

  Value of Log Pow

 Lauroyl glycine

  3.9
 Lauroyl alanine  4.3
 Lauroyl aspartate

 3.0
 Lauroyl glutamate  3.5
 Sarcosine -2.9
Conclusions:
The log P of LCE07102 is defined as the highest value of the log P of the substances present in the test item.
Therefore, the log P of LCE07102 is equal to 4.3.
Executive summary:

Determination of the partition coefficient of LCE07102

The objective of this study was to determine the partition coefficient of LCE07102 by calculation.

Using EPI Suite KOWWINTM software, the following results are obtained:

Substances contained in LCE07102

  Value of Log Pow

 Lauroyl glycine

  3.9
 Lauroyl alanine  4.3
 Lauroyl aspartate

 3.0
 Lauroyl glutamate  3.5
 Sarcosine -2.9

The log P of LCE07102 is defined as the highest value of the log P of the substances present in the test item.

Therefore, the log P of LCE07102 is equal to 4.3.

Description of key information

The log P of LCE07102 is defined as the highest value of the log P of the substances present in the test item.

Therefore, the log P of LCE07102 is equal to 4.3.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.3

Additional information