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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2020-04-06
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:
1. SOFTWARE
EpiSuite v4.11

2. MODEL (incl. version number)
KOCWIN v2.00

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CN(C)C=O, See also section 'Test Material'.

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.

5. APPLICABILITY DOMAIN
See attached QPRF.

6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- See attached QPRF for reliability assessment.
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version:
EpiSuite v4.11
- Model(s) used:
KOCWIN v2.00
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
Media:
soil
Specific details on test material used for the study:
CN(C)C=O
Radiolabelling:
no
Type:
Koc
Remarks:
MCI method
Value:
1 L/kg
Type:
log Koc
Remarks:
MCI method
Value:
0
Type:
Koc
Remarks:
Kow method
Value:
1.24 L/kg
Type:
log Koc
Remarks:
Kow method
Value:
0.094

A very low Koc value of 1 was calculated for DMF, indicating a negligible adsorption potential.

Validity criteria fulfilled:
yes
Conclusions:
The Koc of dimethylformamide was calculated with the model KOCWIN v2.00, which is implemented in the tool EpiSuite v4.11. The logKoc was determined to be 0 (Koc = 1 L/kg).
Executive summary:

Considering the low logPow of the test substance (log Pow = -0.85) this endpoint is waived. For this reason, only a calculation with software tool KOCWIN v2.00 (which is part of the EPI-Win software package (Version 4.11) of US-EPA) was performed. This tool estimates the organic carbon-normalized sorption coefficient for soil (and also for sediment), which is designated as Koc. A very low Koc value of 1 was calculated for DMF, indicating a negligible adsorption potential.

Description of key information

QSAR using KOCWIN, v2.00 (which is part of the EPI-Win software package (Version 4.11) of US-EPA): Koc = 1, log Koc = 0

Key value for chemical safety assessment

Koc at 20 °C:
1

Additional information

Considering the low logPow of -0.85 for N,N-dimethylformamide this endpoint is waived according to REACH regulation. For completeness, a calculation with software tool KOCWIN v2.00 (which is part of the EPIWIN program (Version 4.11) by US-EPA) was performed. This program estimates the organic carbon - normalized sorption coefficient for soil (and sediment), which is designated as Koc. For the substance DMF, a very low Koc value of 1 was calculated, thus indicating a negligible adsorption potential.

Additionally, the Koc is determined using the formula from the TGD for Risk Assessment (EU, 2003), p. 539 for nonhydrophobics. Thereby, a Koc of < 10 is derived.