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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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Diss Factsheets

Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption, other
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Justification for type of information:
REPORTING FORMAT FOR THE ANALOGUE APPROACH

1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source and target substances have similar (eco)toxicological properties because
• they share structural similarities with common functional groups: One quaternised ethanolamine moiety, one to three, mainly two ester groups with a typical UVCB distribution with long-chain fatty acids of natural origin. The molecular structure is almost identical.
• they are manufactured from similar resp. identical precursors (triethanolamine, long-chain fatty acids, dimethyl sulphate) under similar conditions. Therefore common breakdown products via physical and biological processes, which result in structurally similar chemicals are evident
• A constant pattern in the changing of the potency of the properties across the TEA-Esterquats by chain-length and the grade of esterification is not observed, because the fatty acid chain-length distribution is too narrow and similar and the distribution of mono-, di-, and tri-esters is identical. Some variation caused by variation in C=C double bonds may occur and will be discussed at the relevant endpoint.

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
See attached justification

3. ANALOGUE APPROACH JUSTIFICATION
See attached justification.

4. DATA MATRIX
See attached justification.
Reason / purpose for cross-reference:
read-across: supporting information
Reason / purpose for cross-reference:
read-across source
Type:
other: Kp(sediment), Kp(soil)
Value:
10 000 L/kg

Description of key information

Koc = 10000 L/kg dw; read-across from DODMAC

Key value for chemical safety assessment

Koc at 20 °C:
10 000

Additional information

No data on adsorption/desorption is available for the target substance oleic acid-based TEA-Esterquat. However, data from the structurally related substance DODMAC (Dimethyldioctadecylammonium chloride) are provided. A justification for read across is attached in the target record.


 


According to HERA, 2008, the “predictive power of the log Kow for the partitioning to soil, sediment and sludge or its bioaccumulation potential is considered to be limited, because the common Koc derivations are not valid for surface active substances like the esterquats. Therefore the log Kow values cannot be used to derive the environmental distribution constants. Instead as a more reliable basis, the experimentally determined sorption and bioaccumulation figures of DODMAC are used. […] When esterquats enter the aquatic environment, it is likely that a large amount of the esterquats is not truly dissolved but is adsorbed onto suspended matter or included in vesicles together with other organics (e.g. humic acids, surfactants). The sorption behaviour of the esterquats in soils, sediment and sludge will be governed by two processes; partitioning to organic matter and ionic interaction with negatively charged particles. Under environmental conditions, sorption due to ionic interaction is expected to be the predominant process for cationic surfactants. The higher the cationic exchange capacity (CEC) of the sorbent, the higher the sorption will be. Under these conditions, the chain length of the esterquats is expected to be of minor importance for sorption/desorption behaviour onto soil, sediment or sludge. The sorption behaviour of esterquats is expected to be comparable to that of DHTDMAC or DODMAC, due to structural similarities. Therefore, the value reported for DODMAC [DODMAC, EU 2002] of 10,000 L/kg dw is assumed to be a realistic estimate for the estimation of both Kp-sed and Kp-soil and has been taken in the absence of measured data”.


 


DODMAC has a chemical structure similar to that of oleic acid-based TEA-Esterquat. The chemical structure of the registration substance includes, in contrast to DODMAC, two polar ester moieties, which will lower adsorption potential. Thus, DODMAC could be considered as a worst case. No calculated Koc is provided for oleic acid-based TEA-Esterquat, but instead the value obtained with the structurally closely related substance DODMAC is used for chemical safety assessment.


 


The reviewed investigations demonstrated that DODMAC can be bound very strongly by some minerals, while in others relatively small distribution constants were estimated. Under environmental conditions, the sorption properties of DODMAC probably vary in a wide range depending on the nature of the adsorbant. The authors chose a value of 10,000 L/kg dw for both Kp(sed) and Kp(soil).