Fatty acids, coco, iso-Bu esters

Ecotoxicological Summary

Hazard for aquatic organisms

Freshwater

Hazard assessment conclusion:

no hazard identified

Marine water

Hazard assessment conclusion:

no hazard identified

STP

Hazard assessment conclusion:

no hazard identified

Sediment (freshwater)

Hazard assessment conclusion:

PNEC sediment (freshwater)

PNEC value:

2.978 mg/kg sediment dw

Sediment (marine water)

Hazard assessment conclusion:

PNEC sediment (marine water)

PNEC value:

2.978 mg/kg sediment dw

Hazard for air

Air

Hazard assessment conclusion:

no hazard identified

Hazard for terrestrial organisms

Soil

Hazard assessment conclusion:

no hazard identified

Hazard for predators

Secondary poisoning

Hazard assessment conclusion:

no potential for bioaccumulation

Conclusion on classification

Justification for classification

The target substance FATTY ACIDS, COCO, ISO-BU ESTERS (CAS 91697-43-7) and the source substance FATTY ACIDS, C16-18, ISOBUTYL ESTERS (CAS 85865-69-6) are both Short Chain Alcohol Esters (SCAE C2-C8) composed by a fatty acid (C16-C18) and a C4 alcohol (isobutanol).

The source and the target substance show therefore the same reactive groups and a similar composition. A read-across to the source is therefore justified.

Both target and source substances are fatty acid esters produced by chemical reaction of an alcohol (isobutanol) with organic acids (e. g. stearic acid) in the presence of an acid catalyst. The esterification reaction is started by a transfer of a proton from the acid catalyst to the acid to form an alkyloxonium ion. The carboxylic acid is protonated on its carbonyl oxygen followed by a nucleophilic addition of a molecule of the alcohol to a carbonyl carbon of acid. An intermediate product is formed. This intermediate product loses a water molecule and proton to give an ester. Monoesters are the final product of esterification.  

Brief description of the data relevant for classification

 

Degradation

 

Biodegradation:                     87 % of O2 consumption (ISO/ DIS method 10708); read-across

 

Bioaccumulation

 

Expert statement:                 Bioaccumulation is expected to be low.

 

Aquatic acute toxicity

For fish:                             96 h, LC₅₀(Danio rerio): No toxic effects up to the limit of water solubility

For aquatic invertebrates:     48 h, EL₅₀(Daphnia magna): No toxic effects up to the limit of water solubility

For algae/aquatic plants:      72 h, ErL₅₀(Scenedesmus subspicatus): No toxic effects up to the limit of water solubility

 

Aquatic chronic toxicity

For fish:                                 no data available

For aquatic invertebrates:     21 d, NOEC (Daphnia magna): No toxic effects up to the limit of water solubility

For algae/aquatic plants:       72 h, NOEC (Scenedesmus subspicatus): No toxic effects up to the limit of water solubility

Conclusion on classification

CLP:

Based on the data above, Fatty acids, C16-18, isobutyl esters (CAS No. 85865-69-6) is considered to be readily biodegradable. The substance is poorly soluble in water, and no effects occurred up to its water solubility limit in acute tests with for fish, algae and daphnia. Valid chronic toxicity data are available for daphnia and algae. No chronic effects were observed up to the limit of water solubility. Therefore, the substance does not need to be classified and labelled as environmental hazard according to the Regulation (EC) No.1272/2008 (CLP) or the 2^ndATP of the Regulation (EC) No.1272/2008 (CLP).

 

Since both target and source substances are fatty acid esters produced by chemical reaction of an alcohol (isobutanol) with an organic acid and therefore share similar/overlapping structural features and functional groups, it is justified to use a read across approach.

For this reason the same classification of the source substance FATTY ACIDS, C16-18, ISOBUTYL ESTERS (CAS 85865-69-6)

is applied to the target substance FATTY ACIDS, COCO, ISO-BU ESTERS (CAS 91697-43-7)