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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Data source

Reference
Reference Type:
other: software
Title:
US EPA [2011]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.10. United States Environmental Protection Agency, Washington, DC, USA.
Author:
Mackay et al.
Year:
1992
Bibliographic source:
http://www.epa.gov/opptintr/exposure/pubs/episuite.htm

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Episuite Version 4.10
Release year:
2 011

Test material

Constituent 1
Chemical structure
Reference substance name:
6-phenyl-1,3,5-triazine-2,4-diyldiamine
EC Number:
202-095-6
EC Name:
6-phenyl-1,3,5-triazine-2,4-diyldiamine
Cas Number:
91-76-9
Molecular formula:
C9H9N5
IUPAC Name:
6-phenyl-1,3,5-triazine-2,4-diamine

Study design

Test substance input data:
- Molar mass: 187.21
- Data temperature:
- Henry's Law Constant: 2.31E-10 atm*m.3/mole
- Vapour pressure: 3.05E-5 mmHg
- log Pow: 1.38
- Soil Koc 25.1
- Melting point: 228 °C
- Reaction half-life estimates for
- Air: 69.8 hr
- Water: 900 hr
- Soil: 1800 hr
- Sediment: 8100 hr
- Suspended sediment: no data available
- Aerosols: no data available
- Aquatic biota: no data available

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
99.7
Soil (%):
0
Sediment (%):
0.309

Any other information on results incl. tables

Based on the identified uses as well as the intrinsic properties of Benzoguanamine direct emissions to the air and the soil compartment can be neglected. Thus, for simulation only emissions to water have been considered (1000 kg/hr).

Applicant's summary and conclusion

Conclusions:
The Mackay-III-simulation gives clear indication that the water is the major compartment of concern with view to the emission pattern based on the identified uses.