Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 290-649-8 | CAS number: 90194-39-1
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
logPow = 2.5
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.5
- at the temperature of:
- 23 °C
Additional information
A study (BASF SE, 16 -12882 -6) was conducted in accordance with OECD TG 107 to determine the partition coefficient using shake flask method. Pow was determined to be 295.8 (+/- 65.3) and logPow = 2.5. The pH value of the aqueous buffer phases was 7.1. The Partition coefficient was determined at 23 °C.
In addition to the experimentally determined partition coefficient QSAR calculations were performed for the test item. The test item is an UVCB substance consisting of the salt of LAS and DEA. Based on its structure LAS constituents are expected to be more lipohpilic than DEA and thus mainly contributing to a higher logPow value. Therefore, QSAR calculations were performed for the uncharged LAS molecule with an alkylchain length of C10 as well as C13. LogPow was calculated to be 3.8 and 5.8 for the shorter and the longer alkylchain molecule, respectively. Both values are greater than the experimentally determined logPow of 2.5. This is due to the fact that LAS is present as anion within the test substance. Charged molecules are less soluble in the lipophilic phase than the neutral molecule. Therefore, the logPow value of 2.5 is considered to be the most reliable value and is set as key value for the test item.
In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met. Furthermore according to Article 25 of the same Regulation testing on vertebrate animals shall be undertaken only as a last resort.
According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For the assessment of LAS DEA (Q)SAR results were used to support findings of an experimental study on partition coefficient. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
