Reaction mass of N,N-ethanediylbis- Hexadecanamide, N-[2-[(1-oxohexadecyl)amino]ethyl]-Octadecanamide, Hexadecanoic acid, 12-hydroxystearic acid, reaction products with ethylenediamine, N,N-ethanediylbis-Octadecanamide and Octadecanoic acid, 12-hydroxystearic acid, reaction products with ethylenediamine

Adsorption / desorption

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

adsorption / desorption

Remarks:

other: calculation

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Scientifically acceptable calculation

Principles of method if other than guideline:

Calculated using KOCWIN v2.00, a subroutine of the computer program EPI Suite™ (Estimation Program Interface for Windows, version 4.0. Syracuse Research Corporation, Syracuse, NY, USA) U.S. Environmental Protection Agency, OPPT

GLP compliance:

no

Type:

Koc

Value:

>= 404 300 000 - <= 814 300 000

Type:

log Koc

Value:

> 8.6 - < 8.91

The test substance exhibits adsorption potential to soil and sediment

Reference 2

Endpoint:

adsorption / desorption: screening

Type of information:

other: expert statement

Adequacy of study:

supporting study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Expert statement about Guideline Study

Qualifier:

according to guideline

Guideline:

OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))

GLP compliance:

yes

Details on test conditions:

Instrument Alliance Separation Module 2695
(Waters, Milford, MA, USA)
Detector Photodiode Array Detector 996 (Waters)
Column Hypersil BDS-CN, 150 mm  4.6 mm i.d., dp = 5 µm (Thermo Fisher Scientific, San Jose, CA, USA)
Column temperature 35°C  1°C
Mobile phase 55/45 (v/v) methanol/water
Flow 1 ml/min
Injection volume 10 µl
UV detection 210 nm


Reagents: Water, Methanol, Acetonitrile, Dimethylsulfoxide, Tetrahydrofuran, n-Hexan, Toluen, 2-Propanol, Chloroform.

All of the above reagents were used to dissolve the test substance. When using methanol, acetonitrile, dimethylsulfoxide, tetrahydrofuran, n-hexane and toluene, the test substance solutions were also sonicated for 10 to 20 minutes. The test substance did not dissolve

When using methanol, acetonitrile, dimethylsulfoxide, tetrahydrofuran, n-hexane and toluene, the test substance solutions were also sonicated for 10 to 20 minutes. The test substance did not dissolve.

 

Heating was used when trying to dissolve the test substance in 2-propanol and/or chloroform using a hot plate at 50-55°C. The test substance did not dissolve.

 

Based on these experiments, it was concluded that there was no suitable reagent to dissolve the test substance which is compatible with the conditions to be used for estimation of the adsorption coefficient by HPLC.

 

In orer to test if any test substance was dissolved in 2-propanol, an injection on an analytical system was performed. HPLC chromatograms of the test substance solution and corresponding blank solution are performed. No differences can be observed between the test substance and blank injection, indicating the negligible amount of dissolved material.

 

In addition, an injection without HPLC column of the blank and test substance solution was also performed. No difference compared to the blank could be observed in the chromatogram.

Reference 3

Endpoint:

adsorption / desorption: screening

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

supporting study

Justification for type of information:

refers to chapter 13

Reason / purpose for cross-reference:

read-across source

Details on test conditions:

Instrument Alliance Separation Module 2695
(Waters, Milford, MA, USA)
Detector Photodiode Array Detector 996 (Waters)
Column Hypersil BDS-CN, 150 mm  4.6 mm i.d., dp = 5 µm (Thermo Fisher Scientific, San Jose, CA, USA)
Column temperature 35°C  1°C
Mobile phase 55/45 (v/v) methanol/water
Flow 1 ml/min
Injection volume 10 µl
UV detection 210 nm


Reagents: Water, Methanol, Acetonitrile, Dimethylsulfoxide, Tetrahydrofuran, n-Hexan, Toluen, 2-Propanol, Chloroform.

All of the above reagents were used to dissolve the test substance. When using methanol, acetonitrile, dimethylsulfoxide, tetrahydrofuran, n-hexane and toluene, the test substance solutions were also sonicated for 10 to 20 minutes. The test substance did not dissolve

When using methanol, acetonitrile, dimethylsulfoxide, tetrahydrofuran, n-hexane and toluene, the test substance solutions were also sonicated for 10 to 20 minutes. The test substance did not dissolve.

 

Heating was used when trying to dissolve the test substance in 2-propanol and/or chloroform using a hot plate at 50-55°C. The test substance did not dissolve.

 

Based on these experiments, it was concluded that there was no suitable reagent to dissolve the test substance which is compatible with the conditions to be used for estimation of the adsorption coefficient by HPLC.

 

In orer to test if any test substance was dissolved in 2-propanol, an injection on an analytical system was performed. HPLC chromatograms of the test substance solution and corresponding blank solution are performed. No differences can be observed between the test substance and blank injection, indicating the negligible amount of dissolved material.

 

In addition, an injection without HPLC column of the blank and test substance solution was also performed. No difference compared to the blank could be observed in the chromatogram.

Description of key information

Since the Constituent Amides, C16-C18 (even), N,N'-ethylenebis did not dissolve in (organic) solvents at sufficiently high levels, the adsorption coefficient could not be determined. Calculated log KOC (KOCWIN v2.00) values for the substance were 8.6 and 8.91. Thus, it has potential for adsorption to soil and sediment but this is a worst case approach for Amides, C16-C18 (even), N,N'-ethylenebis.

A calculation with the main constituents came to a range of an Log Koc of 6.8 to 8.6. Therefore the obove QSAR can be used as the worstcase situation.