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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Environmental fate & pathways

Distribution modelling

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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: generally accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Fugacity-Based Environmental Equilibrium Partitioning Model; Environmetal Modelling Centre; Trent University Peterborough, Ontario, Canada. Version 2.11 (1999).
Release year:
1 999
Media:
other: air-biota-sediment(s)-soil-water-aerosol

Test material

Constituent 1
Chemical structure
Reference substance name:
N-1,3-dimethylbutyl-N'-phenyl-p-phenylenediamine
EC Number:
212-344-0
EC Name:
N-1,3-dimethylbutyl-N'-phenyl-p-phenylenediamine
Cas Number:
793-24-8
Molecular formula:
C18H24N2
IUPAC Name:
N1-(4-methylpentan-2-yl)-N4-phenylbenzene-1,4-diamine
Details on test material:
results related to pure substance

Results and discussion

Percent distribution in media

Air (%):
0.75
Water (%):
11.48
Soil (%):
43.45
Sediment (%):
43.94
Susp. sediment (%):
0.28
Biota (%):
0.03
Aerosol (%):
0.07

Any other information on results incl. tables

In the model N-(1,3-dimethylbutyl)-N'-phenylbenzene-1,4-diamine is treated as a type 1 chemical, i.e. the chemical partitions into all environmental media. Estimation is carried at an environmental temperature of 25 °C.

Applicant's summary and conclusion

Executive summary:

The distribution of N-(1,3-dimethylbutyl)-N'-phenylbenzene-1,4-diamine in the environment was calculated according to the Mackay fugacity model level I (Currenta, 2010) based on the physico-chemical properties. The main target compartment for N-(1,3-dimethylbutyl)-N'-phenylbenzene-1,4-diamine is air with 0.75 %, followed by water with 11.48 %, soil with 43.45 % and sediment with 43.94 %.