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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 431-620-3 | CAS number: 162537-11-3
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Remarks:
- other: QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR calculation. EC Technical Guidance Document in support of Commission Directive 93/67/EEC
- Principles of method if other than guideline:
- QSAR calculation. EC Technical Guidance Document in support of Commission Directive 93/67/EEC
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: QSAR calculation
- Media:
- soil
- Radiolabelling:
- no
- Remarks:
- not relevant for QSAR calculations
- Test temperature:
- Not relevant
- Details on study design: HPLC method:
- Not relevant
- Type:
- log Koc
- Value:
- 0.819
- Adsorption and desorption constants:
- Not relevant
- Recovery of test material:
- Not relevant
- Concentration of test substance at end of adsorption equilibration period:
- Not relevant
- Concentration of test substance at end of desorption equilibration period:
- Not relevant
- Statistics:
- Not relevant
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The test material was assigned the class of organic acid and the log10Koc was calculated equal to 0.819.
- Executive summary:
Testing of BMS 214702-01 using the HPLC method was not undertaken because the substance is an organic acid. In place of experimental data, a value for adsorption coefficient was calculated using QSARs, the details of which were provided in the technical guidance documents in support of Commission Directive 93/67/EEC on risk assessment of new substances.
The equation used to calculate log10Koc is the one below:
log10Koc = 0.60 x log10Kow + 0.32 = 0.60 x 0.832 +0.32 = 0.819
Reference
Description of key information
The test material was assigned the class of organic acid and the log10Koc was calculated equal to 0.819.
Key value for chemical safety assessment
- Koc at 20 °C:
- 6.59
Additional information
Testing of BMS 214702-01 using the HPLC method was not undertaken because the substance is an organic acid. In place of experimental data, a value for adsorption coefficient was calculated using QSARs, the details of which were provided in the technical guidance documents in support of Commission Directive 93/67/EEC on risk assessment of new substances.
The equation used to calculate log10Koc is the one below:
log10Koc = 0.60 x log10Kow + 0.32 = 0.60 x 0.832 +0.32 = 0.819
[LogKoc: 0.819]
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.
