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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 223-981-9 | CAS number: 4151-51-3
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The QSAR determination of the carbon partition coefficient for the substance revealed values of 2.56E+005 L/kg (logKow method) and 3.44E+007 L/kg (MCI method). The results relate to the unaffected molecule of the substance as any decomposition (e.g. hydrolysis) of the substance is not taken into account by the program (Ranz, 2012a). However, this value has no scientific meaning due to the reactivity of the substance with water (interstitial pore water).
Key value for chemical safety assessment
- Koc at 20 °C:
- 256 000
Additional information
Determination of adsorption / desorption properties of the substance following the OECD TG 121 is technically not feasible based on the substance properties. The experimental method described in this Test Guideline uses HPLC for the estimation of the adsorption coefficient Koc. With a very low water solubility of < 0.1 mg/l, the substance is difficult to study. Due to the aqueous part of the mobile phase recommended for the HPLC analysis according to OECD TG 121, it cannot be excluded, that the substance precipitate on the HPLC column. Therefore the adsorption coefficient of the substance was estimated using the Estimation Program Interface (EPI) Suite v 4.1 with its program KOCWIN.
It is assumed that equilibrium partitioning to soil and associated organic matter is an irrelevant fate mechanism. As the substance will rapidly react with associated pore water, adsorbed water, and organic matter associated with soil particles, no accumulation is expected in soil. Because of this reactivity, the migration of the substance through soil is not possible, and the substance cannot occur as a contaminant in groundwater. A Koc value of 3.44E+07 L/kg can be estimated with the Molecular Connectivity Index of the Estimation Program Interface Suite (v.4.00, 2009) for the substance. Using the logKow method, a Koc value of 2.56E+05 L/kg can be obtained. However, this value has no scientific meaning due to the reactivity of the substance with water (interstitial pore water).
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.
