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REACH

Octadecanoic acid, reaction products with diethylenetriamine and urea, acetates

EC number: 284-698-4 | CAS number: 84962-05-0

Life Cycle description
Uses advised against

Environmental fate & pathways

Adsorption / desorption

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Administrative data

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2013

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: This study was conducted in a facility operating to Good Laboratory Practice (GLP) within the national GLP monitoring programme. However, no experimental testing was carried out.

Principles of method if other than guideline:

No determination was possible according to Method 121 of the OECD Guidelines for Testing of Chemicals, due to the following reason:

A preliminary review of chemical composition of main constituent (ten components) of the test item indicated that most of them would be fully ionized across the entire environmentally relevant pH range (of 5 to 7). Experience has shown that cationic substances can interact with the stationary phase in the HPLC method via secondary interactions, which can lead to a significant over-estimation of the adsorption coefficient. Furthermore, test guidance indicates that Method 121 is not applicable to surface active substances.

Therefore, the adsorption coefficient of the main constituent (ten components) of the test item was estimated using a computer-based estimation method, KOCWIN, version 2.00 (September 2010), © 2000-2008 U.S. Environmental Protection Agency.

GLP compliance:

Remarks:

This study was conducted in a facility operating to Good Laboratory Practice (GLP) within the national GLP monitoring programme. However, no experimental testing was carried out. Therefore, a formal claim of GLP compliance cannot be made.

Type of method:

Media:

soil/sewage sludge

Specific details on test material used for the study:

Identification: FAT #: 93580/A
Description: White-yellowish waxy solid
Batch: 0022357000
Purity: 94.3%
Expiry / Retest Date: 15 December 2015
Storage Conditions: Room temperature in the dark

Radiolabelling:

Test temperature:

Not required: the adsorption coefficient of the main constituent (ten components) of the test item was estimated using a computer-based estimation method, KOCWIN, version 2.00 (September 2010), © 2000-2008 U.S. Environmental Protection Agency.

Details on study design: HPLC method:

Analytical monitoring:

not required

Details on sampling:

Details on matrix:

Details on test conditions:

Computational methods:

The adsorption coefficient of the main constituent (ten components) of the test item was estimated using a computer-based estimation method, KOCWIN, version 2.00 (September 2010), © 2000-2008 U.S. Environmental Protection Agency.

Type:

Koc

Remarks:

Calculated

Value:

0.013 dimensionless

Remarks on result:

other: The Koc value indicates that the anionic component of the test item will have a very high mobility in the environment.

Details on results (HPLC method):

Not applicable: The adsorption coefficient of the main constituent (ten components) of the test item was estimated using a computer-based estimation method, KOCWIN, version 2.00 (September 2010), © 2000-2008 U.S. Environmental Protection Agency.

Adsorption and desorption constants:

Recovery of test material:

Concentration of test substance at end of adsorption equilibration period:

Concentration of test substance at end of desorption equilibration period:

Transformation products:

Details on results (Batch equilibrium method):

Statistics:

Note that as the cationic components and anionic component will be fully ionized across the entire environmentally relevant pH range, these components were evaluated in their ionized form.

The MCI method will only be valid at extremely low pH (i.e. at a pH of less than or equal to approximately pH 3.8), and thus was considered to be environmentally invalid for the anionic component.

Using the software, the log10 Koc of the cationic components was estimated to be in the range 4.1 to 10.8 (MCI method) and in the range 2.7 to 7.8 (Kow method). From these values, the adsorption coefficient (Koc) of the cationic components was estimated to be in the range 1.4 x 104 to 1 x 1010 (MCI method) and in the range 504 to 6.4 x 107 (Kow method). The estimated Koc values indicate that the cationic components will have at best low mobility in the environment.

However, it is anticipated that partitioning forces with the organic carbon content of soils and sediments may not be the dominant force controlling the mobility of the cationic components in the environment. Adsorption of cationic species generally occurs primarily by an ion-exchange mechanism and thus depends on the cation-exchange capacity of the sorbent as well as a variety of other parameters (Boethling, R. S. 1994. Environmental aspects of cationic surfactants. In J. Cross and E. J. and Singer (ed.), Cationic Surfactants: Analytical and Biological Evaluation, vol. 53. Marcel Dekker, Inc. , New York, USA.). Consequently, the true adsorption coefficient of the cationic components may be significantly higher than the KOCWIN estimated values.

Validity criteria fulfilled:

yes

Conclusions:

As for the anionic component, the log10 Koc was estimated to be -1.9 (Kow method). From this value, the adsorption coefficient (Koc) was estimated to be 1.3 x 10-2 (Kow method). The Koc value indicates that the anionic component of the test item will have a very high mobility in the environment.

Executive summary:

The determination of Adsorption/desorption was not possible according to Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001, due to the following reason:

A preliminary review of chemical composition of main constituent (ten components) of the test item indicated that most of them would be fully ionized across the entire environmentally relevant pH range (of 5 to 7). Experience has shown that cationic substances can interact with the stationary phase in the HPLC method via secondary interactions, which can lead to a significant over-estimation of the adsorption coefficient. Furthermore, test guidance indicates that Method 121 is not applicable to surface active substances.

Therefore, the adsorption coefficient of the main constituent (ten components) of the test item was estimated using a computer-based estimation method, KOCWIN, version 2.00 (September 2010), © 2000-2008 U.S. Environmental Protection Agency.

As for the anionic component, the log10 K_oc was estimated to be -1.9 (K_ow method). From this value, the adsorption coefficient (K_oc) was estimated to be 1.3 x 10-2 (K_ow method). The Koc value indicates that the anionic component of the test item will have a very high mobility in the environment.

Description of key information

The determination of Adsorption/desorption was not possible according to Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001, due to the following reason:

As for the anionic component, the log10 K_ocwas estimated to be -1.9 (K_owmethod). From this value, the adsorption coefficient (K_oc) was estimated to be 1.3 x 10-2 (K_owmethod). The Koc value indicates that the anionic component of the test item will have a very high mobility in the environment.

Key value for chemical safety assessment

Koc at 20 °C:: 0.013

Additional information

Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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