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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
key study
Study period:
calculated 2013-02-15
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: accepted calculation method

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2013
Report date:
2013

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:
2 013
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Reference substance name:
2,3-Epoxypropyl neodecanoate, oligomeric reaction products with toluene-4-sulfonic acid
EC Number:
500-281-4
EC Name:
2,3-Epoxypropyl neodecanoate, oligomeric reaction products with toluene-4-sulfonic acid
Cas Number:
98362-33-5
Molecular formula:
Exact identification is not feasible
IUPAC Name:
Copolymer of neodecanoic acid oxiranylmethyl ester and 4-methylbenzenesulfonic acid
Constituent 2
Reference substance name:
DYNAPOL KATALYSATOR 1203
IUPAC Name:
DYNAPOL KATALYSATOR 1203
Test material form:
other: Clear yellowish liquid
Details on test material:
2,3-Epoxypropyl neodecanoate, oligomeric reaction products with toluene-4-sulfonic acid as used in studies on input data

Study design

Test substance input data:
Molecular weight: 400.54 g/mol
log Kow: 4.20
Vapour pressure: 0.0000031 Pa
Water solubility: 0.614 g/l
Melting point: < 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
Water (%):
27.726
Soil (%):
35.81
Sediment (%):
36.208
Susp. sediment (%):
0.233
Biota (%):
0.023
Aerosol (%):
0.001
Other distribution results:
According to a Mackay Level I model calculation, the main target compartments for Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, caprolactam-blocked will be sediment (50.1 %) and soil (49.5 %).

Applicant's summary and conclusion

Conclusions:
According to a Mackay Level I model calculation, the main target compartments for 2,3-Epoxypropyl neodecanoate, oligomeric reaction products with toluene-4-sulfonic acid will be sediment (36.2 %), soil (35.8 %) and water (27.7 %). The proportions will differ for the individual constituents due to their differing individual properties.
Executive summary:

According to a Mackay Level I model calculation, the main target compartments for 2,3-Epoxypropyl neodecanoate, oligomeric reaction products with toluene-4-sulfonic acid will be sediment (36.2 %), soil (35.8 %) and water (27.7 %). The proportions will differ for the individual constituents due to their differing individual properties.