Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
adsorption / desorption, other
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2018
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
Remarks:
EPISUITE TM (US EPA)
Justification for type of information:
Koc was estimated using the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. KOCWIN™: Formerly called PCKOCWIN™. This program estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. the Koc.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Koc was estimated using the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. KOCWIN™: Formerly called PCKOCWIN™. This program estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. the Koc.

Test material

1
Chemical structure
Reference substance name:
Monuron
EC Number:
205-766-1
EC Name:
Monuron
Cas Number:
150-68-5
Molecular formula:
C9H11ClN2O
IUPAC Name:
1-(4-chlorophenyl)-3,3-dimethylurea

Study design

Batch equilibrium or other method

Computational methods:
The EPI (Estimation Programs Interface) Suite™ is a Windows®-based suite of physical/chemical property and environmental fate estimation programs developed by EPA’s and Syracuse Research Corp. (SRC). EPI Suite™ is a screening-level tool.

KOCWIN™: Formerly called PCKOCWIN™, this program estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. KOC. KOC is estimated using two different models: The Sabljic molecular connectivity method with improved correction factors; and the traditional method based on log KOW.

Results and discussion

Adsorption coefficient
Key result
Type:
Koc
Value:
66.67 L/kg

Any other information on results incl. tables

Value: KOC= 66.67 l/kg (Log KOC= 1.824). Remarks: Estimation based on MCI method, by the KOCWIN™ v2.00 module of EPI Suite™ v.4.11.

Applicant's summary and conclusion

Conclusions:
Value: KOC = 66.67 l/kg (Log KOC = 1.824). Remarks: Estimation based on MCI method, by the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. The results indicate that the substance is mobile according to FAO classification (KOC 10 to 100, substance does not adsorb.
Executive summary:

Koc was estimated using the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. KOCWIN™: Formerly called PCKOCWIN™. This program estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. Koc. Koc is estimated using two different models: the Sabljic molecular connectivity method with improved correction factors; and the method based on log Kow. The results of the MCI method were chosen, since they are independent from the determination of the octanol-water partition coefficient. Value: KOC= 66.67 l/kg (Log KOC= 1.824). Remarks: Estimation based on MCI method, by the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. Koc indicated that the substance is mobile, i.e. it does not adsorb to soils and sediments, according to FAO mobility classification.