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Adsorption / desorption

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Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The result was obtained by an appropriate predictive method.
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Type:
log Koc
Value:
0.11
Remarks on result:
other: KOCWIN v2.0
Type:
Koc
Value:
1.3
Remarks on result:
other: KOCWIN v2.0

SMILES : COC(=O)NC[Si](O)(O)C

CHEM  :

MOL FOR: C4 H11 N1 O4 Si1

MOL WT : 165.22

--------------------------- KOCWIN v2.00 Results ---------------------------

 Koc Estimate from MCI:

 ---------------------

        First Order Molecular Connectivity Index ........... : 4.455

        Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 2.9219

        Fragment Correction(s):

                 1  Nitrogen to Carbon (aliphatic) (-N-C).. : -0.2127

                 1  Carbamate (N-CO-O) or (N-CO-S) ....... : -0.9601

        Corrected Log Koc .................................. : 1.7491

                        Estimated Koc: 56.11 L/kg  

 

Koc Estimate from Log Kow:

 -------------------------

        Log Kow (Kowwin estimate) ......................... : -1.28

        Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 0.2171

        Fragment Correction(s):

                 1  Nitrogen to Carbon (aliphatic) (-N-C).. : -0.0218

                 1  Carbamate (N-CO-O) or (N-CO-S) ....... : -0.0825

        Corrected Log Koc .................................. : 0.1128

                        Estimated Koc: 1.297 L/kg  

Conclusions:
LogKoc of methyl-N-[3-(trihydroxysilyl)propyl]carbamate is calculated as 0.11.
Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The result was obtained by an appropriate predictive method.
Principles of method if other than guideline:
QSARs for soil and sediment sorption for different chemical classes (Sabljic and Güsten, 1995)
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Type:
log Koc
Value:
0.032
Remarks on result:
other: predicted using the TGD (Technical Guidance Document) non-hydrophobics log Kow prediction method
Endpoint:
adsorption / desorption: screening
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because the substance has a low octanol water partition coefficient and the adsorption potential of this substance is related to this parameter

Description of key information

Methyl-N-{[dimethoxy(methyl)silyl]methyl}carbamate and its hydrolysis products: low potential for adsorption

Key value for chemical safety assessment

Additional information

The substance exhibits a low log Kow value (log Kow <3) and thus a low potential for adsorption. Therefore, in accordance with Column 2 of REACH Annex VIII, the adsorption/desorption screening test does not need to be conducted, and also there is no need for further information on adsorption/desorption.

Methyl-N-{[dimethoxy(methyl)silyl]methyl}carbamate (CAS 23432 -65 -7) hydrolyses in contact with water to the corresponding hydrolysis products methyl-N-{[dihydroxy(methyl)silyl]methyl}carbamate and methanol, which have low log Kow values (<3) and thus have a low potential for adsorption/desorption as well.  

Therefore, it is considered appropriate to omit the adsorption testing based on the low log Kow, and to get an indicative adsorption potential value based on the logKow prediction method.

Adsorption of the hydrolysis product methyl-N-{[dihydroxy(methyl)silyl]methyl}carbamate has been estimated using two separate estimation methodologies. The log Koc of 0.11 (Koc of 1.3) ( KOCWIN v2.00, Kow predicition method) was obtained using an accepted QSAR (KOWWIN v2.0). For environmental exposure assessment, adsorption is predicted using the TGD (Technical Guidance Document) non-hydrophobics log Kow prediction method (EC, 2003a). A log Koc = 0.032 is calculated for the silanol hydrolysis product.