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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method

Data source

Reference
Reference Type:
other: calculation
Title:
Mackay, Calculation of the environmental distribution of DNT according to fugacity model level I
Author:
Anonymus
Year:
2001

Materials and methods

Model:
calculation according to Mackay, Level I
Release year:
1 991
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
2,4-dinitrotoluene
EC Number:
204-450-0
EC Name:
2,4-dinitrotoluene
Cas Number:
121-14-2
Molecular formula:
C7H6N2O4
IUPAC Name:
1-methyl-2,4-dinitrobenzene

Study design

Test substance input data:
Data used:
molar mass:          182.14 g/mol
log Kow:                1.98
vapour pressure:  0.0079 (Pa)
water solubility:     0.3 g/L
melting point:        69.9°C

Results and discussion

Percent distribution in media

Air (%):
0.16
Water (%):
98.4
Soil (%):
0.74
Sediment (%):
0.69
Susp. sediment (%):
0
Biota (%):
0
Other distribution results:
Susp. Sediment:  0.001   %
Biota (fish):       0.0005  %

Any other information on results incl. tables

Based on the model calculations (Mackay Level I, V.2.11) the
preferred environmental compartment is the hydrosphere.


Applicant's summary and conclusion