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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 202-605-7 | CAS number: 97-74-5
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Remarks:
- adsorption/desorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- In accordance with column 2 of REACH Annex IX, the adsorption/desorption screening test does not need to be conducted as the substance can be expected to have a low potential for adsorption based on its intrinsic properties (log Kow <3). However, a Koc value is required for the sediment and soil PNEC derivations. Therefore, a QSAR value is proposed.
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- Validated QSAR.
- Type of method:
- other: QSAR
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
n.a. - Key result
- Type:
- Koc
- Value:
- 335.5 L/kg
- Temp.:
- 20 °C
- Remarks on result:
- other: See remarks
- Remarks:
- QSAR result
- Executive summary:
In accordance with column 2 of REACH Annex VIII, the adsorption/desorption test (required in § 9.3.1) does not need to be conducted as the substance can be expected to have a low potential for adsorption. The substance has indeed a low octanol-water partition coefficient (log Pow = 1.17). However, a Koc value is required for the estimation of several PNECs. Therefore, Koc was estimated by a validated Q-SAR model using the molecular connectivity method (MCI) with the Kocwin 2.0 software. Tetramethylthiuram monosulphide has 4 aliphatic nitrogen to carbon groups, which falls in the scope of the MCI model, as indicated in appendix D of the user manual of Kocwin 2.0. However, it has also two dithiocarbonyl groups, which is outside the scope of the MCI model (one dithiocarbonyl group max). Results are therefore to take with caution. Koc=335.5 L/kg
Reference
Description of key information
Key value for chemical safety assessment
- Koc at 20 °C:
- 335.5
Additional information
In accordance with column 2 of REACH Annex VIII, the adsorption/desorption test (required in § 9.3.1) does not need to be conducted as the substance can be expected to have a low potential for adsorption. The substance has indeed a low octanol-water partition coefficient (log Pow = 1.17). However, a Koc value is required for the estimation of several PNECs. Therefore, Koc was estimated by a validated Q-SAR model using the molecular connectivity method (MCI) with the Kocwin 2.0 software. Tetramethylthiuram monosulphide has 4 aliphatic nitrogen to carbon groups, which falls in the scope of the MCI model, as indicated in appendix D of the user manual of Kocwin 2.0. However, it has also two dithiocarbonyl groups, which is outside the scope of the MCI model (one dithiocarbonyl group max). Results are therefore to take with caution. Koc=335.5 L/kg
[LogKoc: 2.53]
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.
