Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Environmental fate & pathways

Adsorption / desorption

Currently viewing:

Administrative data

Link to relevant study record(s)

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.