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EC number: 921-820-3 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- from 2010-02-19 to 2010-05-11
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP study, The methods given in the Commission Directive 92/69/EEC, Commission Regulation (EC) No. 440/2008 – EC A8 Method (2008) are not usable when the substance shows tension-active properties which is presumably the case for LCE10028.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Determination by calculation, using EPI Suite KOWWINTM software.
The log Pow of LCE10028 is defined as the highest value of the log Pow of the substances present in the test item. - GLP compliance:
- yes (incl. QA statement)
- Remarks:
- 2009-08-17
- Type of method:
- other: Determination by calculation, using EPI Suite KOWWINTM software
- Partition coefficient type:
- other: Determination by calculation, using EPI Suite KOWWINTM software
Test material
- Reference substance name:
- LCE 10028
- IUPAC Name:
- LCE 10028
- Details on test material:
- Identification LCE10028
Identification of the flask LCE10028; LOT : T90335
Batch T90335
Supplier SEPPIC
Appearance Beige pearls
Packaging White plastic flask with a blue stopper
Quantity received 300 g
Date of receipt 15 March 2010
Storage In darkness at room temperature
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- ca. 10.7
- Details on results:
- The log Pow of LCE10028 is defined as the highest value of the log Pow of the substances present in the test item.
Any other information on results incl. tables
Substances containedin LCE10028 |
% in LCE10028 |
Value of log Pow |
Dodecanol (C12) |
< 0.5 |
4.8 |
Tetradecanol (C14) |
About 7.3 |
5.8 |
Hexadecanol (C16) |
< 0.5 |
6.7 |
Octadecanol (C18) |
About 3.2 |
7.7 |
Eicosanol (C20) |
About 42.5 |
8.7 |
Docosanol (C22) |
About 22.5 |
9.7 |
Tetracosanol (C24) |
About 2.2 |
10.7 |
Dodecylmonoglucoside (C12) |
About 3.5 |
2.9 |
Tetradecylmonoglucoside (C14) |
About 3.8 |
3.9 |
Hexadecylmonoglucoside (C16) |
< 0.5 |
4.9 |
Octadecylmonoglucoside (C18) |
About 0.8 |
5.8 |
Eicosylmonoglucoside (C20) |
About 7.7 |
6.8 |
Docosylmonoglucoside (C22) |
About 3.8 |
7.8 |
Tetracosylmonoglucoside (C24) |
< 0.5 |
8.8 |
Applicant's summary and conclusion
- Conclusions:
- Therefore, the log Pow of LCE10028 is equal to 10.7.
- Executive summary:
1.Objective of the study
The objective of the study was todetermine the partition coefficient of LCE10028 by calculation.
2.Principle
The methods given in the Commission Directive 92/69/EEC, Commission Regulation (EC) No. 440/2008 – EC A8 Method (2008) are not usable when the substance shows tension-active properties which is presumably the case for LCE10028.
The partition coefficient can then be obtained by calculation. The obtained value is a trend of the value of the partition coefficient.
3.Calculation procedure
In the absence of an internationally recognised calculation method for the calculation of the partition coefficient, the work will be conducted according to our standard operating procedure.
The partition coefficient of LCE10028 was calculated using EPI Suite KOWWINTMsoftware. EPI Suite is a non web connected software. Therefore, the use of this software is totally confidential. Once the software installed, the structures of the substances contained in the test item were designed under their SMILES configurations. A coefficient of the different SMILES fragment is calculated and the software returns the log P.
4.Results
The values of the partition coefficient of the substances contained inLCE10028is given in the following table:
Substances containedin
LCE10028
% in LCE10028
Value of log Pow
Dodecanol (C12)
< 0.5
4.8
Tetradecanol (C14)
About 7.3
5.8
Hexadecanol (C16)
< 0.5
6.7
Octadecanol (C18)
About 3.2
7.7
Eicosanol (C20)
About 42.5
8.7
Docosanol (C22)
About 22.5
9.7
Tetracosanol (C24)
About 2.2
10.7
Dodecylmonoglucoside (C12)
About 3.5
2.9
Tetradecylmonoglucoside (C14)
About 3.8
3.9
Hexadecylmonoglucoside (C16)
< 0.5
4.9
Octadecylmonoglucoside (C18)
About 0.8
5.8
Eicosylmonoglucoside (C20)
About 7.7
6.8
Docosylmonoglucoside (C22)
About 3.8
7.8
Tetracosylmonoglucoside (C24)
< 0.5
8.8
Thelog Powof LCE10028 is defined as the highest value of the log Powof the substances present in the test item.
Therefore, the log Powof LCE10028 is equal to 10.7.
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