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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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)
Adequacy of study:
key study
Study period:
calculated 201-09-21
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
self-made, equivalent to Level I V. 2.11 with standard settings
Release year:
2 014
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
2,4,6-tris(dimethylaminomethyl)phenol
EC Number:
202-013-9
EC Name:
2,4,6-tris(dimethylaminomethyl)phenol
Cas Number:
90-72-2
Molecular formula:
C15H27N3O
IUPAC Name:
2,4,6-tris[(dimethylamino)methyl]phenol

Study design

Test substance input data:
Molecular weight: 256,39 g/mol
log Kow: -0,66
Vapour pressure: 0,075 Pa
Water solubility: 850,0 g/l
Melting point: -20 °C
Temperature: 20 °C
Environmental properties:
Air: 6 000 000 000 m³, 1.206 kg/m³
Water: 7 000 000 m³, 1000 kg/m³
Soil: 45 000 m³, 1500 kg/m³, 2 % OC
Sediment: 21 000 m³, 1300 kg/m³, 5 % OC
Susp. sediment: 35 m³, 1500 kg/m³, 16.7 % OC
Fish: 7 m³, 1000 kg/m³, 5 % fat
Aerosol: 0.12 m³, 1500 kg/m³

Temperature: 20 °C

Results and discussion

Percent distribution in media

Air (%):
0.001
Water (%):
99.996
Soil (%):
0.002
Sediment (%):
0.002
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion

Conclusions:
According to a Mackay Level I model calculation, the main target compartment for the substance will be water (99.996 %).
Executive summary:

According to a Mackay Level I model calculation, the main target compartment for the substance will be water (99.996 %).