Registration Dossier
Registration Dossier
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EC number: 238-270-9 | CAS number: 14324-55-1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- 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:
- 4.17
- Type:
- Koc
- Value:
- 14 750
Reference
SMILES : CCN(CC)C(=S)S[Zn]SC(=S)N(CC)CC
CHEM : Ethyl ziram
MOL FOR: C10 H20 N2 S4 Zn1
MOL WT : 361.91
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 8.099
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 4.8220
Fragment Correction(s):
4 Nitrogen to Carbon (aliphatic) (-N-C).. : -0.8509
* Dithiocarbonyl (-S-C(=S)-N)............ : 0.1978
Corrected Log Koc .................................. : 4.1688
Estimated Koc: 1.475e+004 L/kg <===========
Description of key information
The calculated Koc value of 14,800 L/kg is used in the assessment.
Key value for chemical safety assessment
- Koc at 20 °C:
- 14 800
Additional information
No adsorption/desorption study is available for zinc bis(diethyldithiocarbamate). Therefore, the Koc was calculated with KOCWIN™ (U. S. EPA, 2008) using the Molecular Connectivity Index (for details see QMRF and QPRF as attached to the respective IUCLID entry and CSR Appendix A). The calculated Koc value is 14,800 L/kg.
[LogKoc: 4.17]
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.
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