Registration Dossier
Registration Dossier
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EC number: 922-178-7 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP study, (Q)SAR results
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Report date:
- 2010
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- 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 LCE10034 was calculated using EPI Suite KOWWINTM
software. 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.
Note: The software gives the log P as a log Kow. - GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- LCE10034
- IUPAC Name:
- LCE10034
- Details on test material:
- Identification LCE10034
Identification of the packaging LCE10034; LOT: T93611
Batch T93611
Expiry date Not provided
Supplier SEPPIC
Appearance White Pearls
Packaging 1 White plastic flask with blue stopper
Quantity received 1 x 400 g
Date of the reception 30 March 2010
Storage In darkness at room temperature
Identification number of the test item 10-059
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 7.7
- Remarks on result:
- other: The log P of LCE10034 is defined as the highest value of the log P of the substances present in the test item. Therefore, the log P of LCE10034 is equal to 7.7.
Any other information on results incl. tables
Substances contained in LCE10034 % in LCE10034 Value of log Pow
Dodecanol About 1 4.8
Tetradecanol About 4 5.8
Hexadecanol About 6 6.7
Octadecanol About 28 7.7
Dodecanemonoglucoside About 15 2.9
Tetradecanemonoglucoside About 19 3.9
Hexadecanemonoglucoside About 9 4.9
Octadecanemonoglucoside About 19 5.8
Applicant's summary and conclusion
- Conclusions:
- the log P of LCE10034 is equal to 7.7
- Executive summary:
Determination of the partition coefficient of LCE10034
The objective of this study was to determine the partition coefficient of LCE10034 by calculation.
Using EPI Suite KOWWINTM software based on QSAR, the following results are obtained:
Substances contained in LCE10034 % in LCE10034 Value of log Pow
Dodecanol About 1 4.8
Tetradecanol About 4 5.8
Hexadecanol About 6 6.7
Octadecanol About 28 7.7
Dodecanemonoglucoside About 15 2.9
Tetradecanemonoglucoside About 19 3.9
Hexadecanemonoglucoside About 9 4.9
Octadecanemonoglucoside About 19 5.8
The log P of LCE10034 is defined as the highest value of the log P of the substances present in the test item.
Therefore, the log P of LCE10034 is equal to 7.7.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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