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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 251-156-3 | CAS number: 32687-78-8
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Remarks:
- adsorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- KOCWIN (v2.00): estimation by logKow
- GLP compliance:
- no
- Type of method:
- other: QSAR estimation: KOCWIN v2.00: Koc estimate from logKow
- Test temperature:
- 25 °C
- Computational methods:
- - Other: log Kow used for estimation: 4.8 (experimental value)
- Type:
- log Koc
- Value:
- 3.906 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: The substance is within the molecular weight and logKow ranges of the model. The number of instances of the identified correction factor exceed the maximum number in two cases.
- Endpoint:
- adsorption / desorption
- Remarks:
- adsorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- KOCWIN (v2.00): estimation using first-order Molecular Connectivity Index (MCI)
- GLP compliance:
- no
- Type of method:
- other: QSAR estimation: KOCWIN v2.00: Koc estimate from MCI
- Test temperature:
- 25 °C
- Type:
- log Koc
- Value:
- 7.741 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: The substance is within the moelcular weight range of the model. The number of instances of the identified correction factor exceeds the maximum number in two instances.
Referenceopen allclose all
Koc Estimate from Log Kow:
-------------------------
Log Kow (User entered ) ......................... : 4.80
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 3.5801
Fragment Correction(s):
2 N-CO-C (aliphatic carbon) ............ : -0.0076
2 Aromatic Hydroxy (aromatic-OH) ....... : 0.3337
Corrected Log Koc .................................. : 3.9062
Estimated Koc: 8058 L/kg <===========
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 18.013
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 9.9899
Fragment Correction(s):
2 N-CO-C (aliphatic carbon) ............ : -2.0554
2 Aromatic Hydroxy (aromatic-OH) ....... : -0.1932
Corrected Log Koc .................................. : 7.7413
Estimated Koc: 5.511e+007 L/kg <===========
Description of key information
Based upon a calculated log Koc adsorption to solid soil phase is expected.
Key value for chemical safety assessment
Additional information
The log Koc was calculated with KOCWIN v2.00, EPISuite v4.11 to be 7.7 (MIC method) and 3.9 (logKow method). Binding to soils and sediments is expected.
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.
