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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
adsorption / desorption: screening
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

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

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
calculated with EUSES 2.1 (QSAR for organic acids) by using log pow of 3.6
GLP compliance:
no
Type of method:
other: calculation

Test material

Constituent 1
Reference substance name:
(Pentapropenyl succinimido)-caproic acid
IUPAC Name:
(Pentapropenyl succinimido)-caproic acid
Constituent 2
Chemical structure
Reference substance name:
6-[3-(C12-C18)-alkenyl(branched, unsaturated)-2,5-dioxopyrrolidin-1-yl]hexanoic acid
EC Number:
701-162-1
Molecular formula:
C22H37NO4 - C28H49NO4
IUPAC Name:
6-[3-(C12-C18)-alkenyl(branched, unsaturated)-2,5-dioxopyrrolidin-1-yl]hexanoic acid

Study design

Batch equilibrium or other method

Computational methods:
calculated with EUSES 2.1 (QSAR for organic acids) by using log pow of 3.6

Results and discussion

Adsorption coefficientopen allclose all
Type:
Koc
Value:
162 L/kg
Type:
Kd
Value:
3.3 L/kg
Matrix:
soil
% Org. carbon:
2
Type:
Kd
Value:
8.1 L/kg
Matrix:
sediment
% Org. carbon:
5
Type:
Kd
Value:
60 L/kg
Matrix:
activated sludge
% Org. carbon:
10

Applicant's summary and conclusion

Conclusions:
The registration substance has a measured Log Kow of 3.6 and based on this value the Exposure Modelling Program EUSES 2.1 calculates a Koc of 162 L/kg (QSAR for organic acids) corresponding to a Kd soil of 3.3 L/kg, Kd sediment of 8.1 L/kg and Kd activated sludge of 60 L/kg. These Kd values are low which means that an Adsorption / Desorption study is not warranted.
Executive summary:

The registration substance has a measured Log Kow of 3.6 and based on this value the Exposure Modelling Program EUSES 2.1 calculates a Koc of 162 L/kg (QSAR for organic acids) corresponding to a Kd soil of 3.3 L/kg, Kd sediment of 8.1 L/kg and Kd activated sludge of 60 L/kg. These Kd values are low which means that an Adsorption / Desorption study is not warranted.