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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 238-778-0 | CAS number: 14726-36-4
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- KOCWIN™ 2008. Version 2.00. U.S. Environmental Protection Agency. http://www.epa.gov/oppt/exposure/pubs/episuite.htm
- GLP compliance:
- not specified
- Key result
- Type:
- log Koc
- Value:
- 9.42 L/kg
- Type:
- Koc
- Value:
- 2 622 000 000 L/kg
Reference
SMILES : S=C(S[Zn]SC(=S)N(Cc(cccc1)c1)Cc(cccc2)c2)N(Cc(cccc3)c3)Cc(cccc4)c4
CHEM : Carbamodithioic acid, dibutyl-, sodium salt
MOL FOR: C30 H28 N2 S4 Zn1
MOL WT : 610.20
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 18.170
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 10.0717
Fragment Correction(s):
4 Nitrogen to Carbon (aliphatic) (-N-C).. : -0.8509
* Dithiocarbonyl (-S-C(=S)-N)............ : 0.1978
Corrected Log Koc .................................. : 9.4186
Estimated Koc: 2.622e+009 L/kg <===========
Description of key information
A maximum Koc value of 1.0E+06 L/kg is used in the assessment.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 000 000
Additional information
No adsorption/desorption study is available for zinc bis(dibenzyldithiocarbamate). Therefore, the Koc was calculated with KOCWIN™ (U. S. EPA, 2008) using the Molecular Connectivity Index as zinc bis(dibenzyldithiocarbamate) is an ionic substance (for details see QMRF and QPRF as attached to the respective IUCLID entry and CSR Appendix A.2). The calculated Koc value is 2.6E+09 L/kg. A maximum Koc value of 1.0E+06 L/kg is used in the assessment.
[LogKoc: 9.42]
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.
