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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method, substance within applicability domain
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Referenceopen allclose all

Reference Type:
other: EPIWIN calculation
Title:
Unnamed
Year:
2014
Report date:
2014
Reference Type:
other: Estimation software
Title:
Estimation Programs Interface Suite for Microsoft Windows, v4.11
Author:
US EPA
Year:
2012
Bibliographic source:
United States Environmental Protection Agency, Washington, DC, USA; November 2012

Materials and methods

Principles of method if other than guideline:
KOCWIN (v2.00): estimation using first-order Molecular Connectivity Index (MCI)
GLP compliance:
no
Type of method:
other: QSAR estimation: KOCWIN v2.00: Koc estimate from MCI

Test material

Constituent 1
Chemical structure
Reference substance name:
4-methylpyrazole
EC Number:
231-445-0
EC Name:
4-methylpyrazole
Cas Number:
7554-65-6
Molecular formula:
C4H6N2
IUPAC Name:
4-methyl-1H-pyrazole

Study design

Test temperature:
25 °C

Results and discussion

Adsorption coefficientopen allclose all
Type:
Koc
Value:
32.5
Temp.:
25 °C
Remarks on result:
other: The substance is within the applicability domain of the model.
Type:
log Koc
Value:
1.512
Temp.:
25 °C
Remarks on result:
other: The substance is within the applicability domain of the model.

Applicant's summary and conclusion