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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Data source

Reference
Reference Type:
other: Mackay Level 1 calculation report
Title:
Unnamed
Year:
2009

Materials and methods

Model:
calculation according to Mackay, Level I
Release year:
2 005
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
4,4'-methylenedi-o-toluidine
EC Number:
212-658-8
EC Name:
4,4'-methylenedi-o-toluidine
Cas Number:
838-88-0
Molecular formula:
C15H18N2
IUPAC Name:
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline

Study design

Test substance input data:
- Molar mass:
- Data temperature: 25°C
- Water solubility: 16 mg/L
- Vapour pressure: 0.0000858 Pa
- log Pow: 2.417
- Melting point: 156°C
Environmental properties:
Volume Density org. C fish lipid
[m3] [kg/m3] [g/g] [g/g]
air 6.00E+09 1.185 - -
water 7.00E+06 1000 - -
soil 45000 1500 0.02 -
sediment 21000 1300 0.05 -
susp. sed. 35 1500 0.167 -
fish 7 1000 - 0.05
aerosol 0.12 1500 - -

Results and discussion

Percent distribution in media

Air (%):
0.04
Water (%):
95.9
Soil (%):
2
Sediment (%):
2.02
Susp. sediment (%):
0.01
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion