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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Principles of method if other than guideline:
Calculation based on HENRYWIN v3.20, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
6-methyl-2-oxoperhydropyrimidin-4-ylurea
EC Number:
214-447-6
EC Name:
6-methyl-2-oxoperhydropyrimidin-4-ylurea
Cas Number:
1129-42-6
Molecular formula:
C6H12N4O2
IUPAC Name:
(6-methyl-2-oxo-1,3-diazinan-4-yl)urea
Details on test material:
- Name of test material (as cited in study report): Urea, (hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-
- Molecular formula: C6 H12 N4 O2
- Smiles notation: O=C1NC(NC(=O)N)CC(N1)C

Results and discussion

Henry's Law constant H
H:
0 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: 3.01 E-013 Pa-m3/mole

Any other information on results incl. tables

For experimentally determined Vapour pressoure and water solubility following HLC was determined:

HLC: 1.174E-007 atm-m3/mole (1.190E-002 Pa-m3/mole)

VP:  0.00263 mm Hg (source: User-Entered)

WS:  5.07E+003 mg/L (source: User-Entered)

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Applicant's summary and conclusion