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EC number: 261-619-1 | CAS number: 59130-69-7
Endpoint summary
Administrative data
Description of key information
Additional information
There are no data available for the ready biodegradability of Hexadecyl 2-ethylhexanoate (CAS No. 59130-69-7). In order to fulfil the standard information requirements set out in Annex VII, 9.2, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006, read-across from a structurally related substance was conducted.
In accordance with Article 13 (1) of Regulation (EC) No 1907/2006, "information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI are met.” In particular, information shall be generated whenever possible by means other than vertebrate animal tests, which includes the use of information from structurally related substances (grouping or read-across).
Having regard to the general rules for grouping of substances and read-across approach laid down in Annex XI, 1.5, of Regulation (EC) No 1907/2006, whereby substances may be predicted as similar provided that their physicochemical, toxicological and ecotoxicological properties are likely to be similar or follow a regular pattern as a result of structural similarity.
Environmental fate of the target substance Hexadecyl 2-ethylhexanoate (CAS No. 59130-69-7) and the source substance Hexanoic acid, 2-ethyl-, C16-18 alkyl esters (CAS No. 90411-68-0) are presented in the following table.
CAS |
59130-69-7 |
90411-68-0 |
Chemical name |
Hexadecyl 2-ethylhexanoate |
Hexanoic acid, 2-ethyl, C16-18 alkyl esters |
MW |
368.6 g/mol |
368.6 - 396.7 g/mol |
Indirect phototransformation in air [DT50, 24 h day] |
13.8 h |
12.5 – 13.8 h |
Hydrolysis [DT50, pH 7] |
> 1 yr |
> 1 yr |
Biodegradation: screening tests |
RA: CAS 90411-68-0 |
Readily biodegradable |
BCF/BAF [L/kg] |
1.48/ 126 (Arnot-Gobas) |
1 – 1.5/ 62.7 – 126 (Arnot-Gobas) |
Adsorption [log Koc] |
> 5 (MCI) |
> 5 (MCI) |
The above mentioned substances are considered to be similar on the basis of the structural similar properties and/or activities. The available endpoint information on biodegradation is used to predict the same endpoint for Hexadecyl 2-ethylhexanoate (CAS No. 59130-69-7).
A detailed analogue approach justification is provided in the technical dossier (see IUCLID Section 13).
Discussion
Hexadecyl 2-ethylhexanoate (CAS No. 59130-69-7) is hydrolytically stable and therefore abiotic hydrolysis is not a relevant pathway in water. However, based on read across to the structurally related substance Hexanoic acid, 2-ethyl-, C16-18 alkyl esters (CAS No. 90411-68-0), Hexadecyl 2-ethylhexanoate (CAS No. 59130-69-7) is assessed as readily biodegradable. Thus, the substance will rapidly be removed from natural water compartments as well as from wastewater in sewage treatment plants. The substance has a log Koc > 5 indicating a potential to adsorb to soil and sediment particles. The estimated half time for the reaction with OH-radicals is 14 hours (24h day; OH-concentration: 0.5E+06 OH/cm3). However, photodegradation is not an important environmental fate process since the substance is not expected to evaporate into the atmosphere due to its very low vapor pressure of < 0.01 Pa at 20 °C. Due to its low water solubility (< 0.05 mg/L in aqua bidest), ready biodegradability and potential for adsorption to soil and sediment particles, only low concentrations of Hexadecyl 2-ethylhexanoate is expected to be released into the aquatic environment. The substance will be bioavailable to aquatic organisms mainly via feed and contact with suspended organic particles. Hexadecyl 2-ethylhexanoate is not bioaccumulative, based on the criteria given in Regulation (EC) No. 1907/2006, Annex XIII, 1.1.2 (BCF < 2000 L/kg). After uptake by fish species, extensive and fast biotransformation of the substance by carboxylesterases into 2-Ethylhexanoic acid and the corresponding alcohol is expected. BCF/BAF values estimated with the BCFBAF v3.01 program, Arnot-Gobas model including biotransformation, also indicate that this substance will not be bioaccumulative.
In conclusion, Hexadecyl 2-ethylhexanoate is effectively removed from the environment by biotic degradation processes. Due the low water solubility and high adsorption potential, the main route of exposure for aquatic organisms such as fish will be via food ingestion or contact with suspended solids. Ingested amounts of the substance in organisms are expected to be effectively metabolized to 2-Ethylhexanoic acid and Cetyl alcohol.
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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