Fatty acids, C5-9, hexaesters with dipentaerythritol

Endpoint summary

Additional information

There are no data available for the adsorption and biodegradation of carboxylic acids, C5-9, hexaesters with dipentaerythritol (CAS 67762-52-1). In order to fulfil the standard information requirements set out in Annex VIII, 9.3.1., in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006, read-across from one 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 for human toxicity, 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, Item 1.5, of Regulation (EC) No 1907/2006 whereby substances may be predicted as similar provided that their physicochemical, environmental fate, toxicological and ecotoxicological properties are likely to be similar or follow a regular pattern as a result of structural similarity.

Environmental fate parameters of the target substance carboxylic acids, C5-9, hexaesters with dipentaerythritol (CAS 67762-52-1) and the source substances are presented in the following table.

CAS	Target	Source 1	Source 2	Source 3
CAS	67762-52-1	647028-25-9	84418-63-3	70983-72-1
Chemical Name	Carboxylic acids, C5-9, hexaesters with dipentaerythritol	Dipentaerythritol with fatty acids, C5 and C9iso	Isononanoic acid, mixed esters with dipentaerythritol, heptanoic acid and pentaerythritol	Fatty acids C5-10 esters with dipentaerythritol
MW	759 - 1095	983 - 1096	1095.61	759-1179
Fatty acid chain length	C5-9	C5,9iso	C9iso	C7-10
Alcohol	dipentaerythritol	dipentaerythritol	dipentaerythritol	dipentaerythritol
Water solubility	< 0.05 mg/L	< 0.05 mg/L	< 0.15 mg/L	< 0.15 mg/L
Phototransformation [DT50, 24 h day]	5.36 – 8.84 h	--	6.72 h	4.48 - 6.72 h
Hydrolyse [DT50, pH 7]	> 1 yr	> 1 yr	> 1 yr	> 1 yr
Biodegradation: screening tests	RA: CAS 647028-25-9 RA: CAS 70983-72-1	not readily biodegradable	not readily biodegradable	not readily biodegradable
BCF/BAF [L/kg]	0.89/0.89 (Arnot-Gobas)	--	0.89/0.89 (Arnot-Gobas)	0.89/0.89 (Arnot-Gobas)
Adsorption [log Koc]	> 5 (MCI) RA: CAS 647028-25-9	> 5 (HPLC method)	> 5 (MCI)	> 5 (MCI)

 

The above mentioned substances are considered to be similar on the basis of the structural similarity resulting in similar properties and/or activities. The available endpoint information is used to predict the same endpoints for carboxylic acids, C5-9, hexaesters with dipentaerythritol (CAS 67762-52-1).

A detailed analogue approach justification is provided in the technical dossier (see IUCLID section 13).

The target substance carboxylic acids, C5-9, hexaesters with dipentaerythritol (CAS 67762-52-1) and the source substance dipentaerythritol with fatty acids, C5 and C9iso (CAS 647028-25-9) are characterized by a similar environmental behaviour based on the relevant physico/chemical and environmental fate properties. Dipentaerythritol with fatty acids, C5 and C9iso is considered to have a high adsorption potential in view of the results of one experimental study conducted according toOECD draft document (1997): Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using HPLC.

The read-across substance dipentaerythritol with fatty acids, C5 and C9iso (CAS 647028-25-9) is characterized by the same alcohol component(dipentaerythritol) and similar chain lengths (C5-C10 and C5-C9) of the fatty acids. Based on the structural and profile similarity of the two substances, carboxylic acids, C5-9, hexaesters with dipentaerythritol is considered to have a high adsorption potential as well. This is also supported by additional published data for carboxylic acids, C5-9, hexaesters with dipentaerythritol and (Q)SAR calculation.

Degradation via abiotic hydrolysis is not considered to be a relevant degradation pathway in the environment since QSAR results using HYDROWIN v2.00 resulted in DT50 values > 1 yr at pH 7.

The read-across substances dipentaerythritol with fatty acids, C5 and C9iso (CAS 647028-25-9) and fatty acids C5-10 esters with dipentaerythritol (CAS 70983-72-1) are characterized by the same alcohol component (dipentaerythritol) and similar chain lengths (C5-C10 and C5-C9) of the fatty acids. Based on the structural and profile similarity of the target and source substances, carboxylic acids, C5-9, hexaesters with dipentaerythritol is considered to be not readily biodegradable as well.

Evaporation into air and the transport through the atmospheric compartment is not expected since the target and the source substance are not volatile based on the low vapour pressure.

Considering the low water solubility (< 0.05 mg/L) of carboxylic acids, C5-9, hexaesters with dipentaerythritol and the potential for adsorption to organic soil and sediment particles, the main compartment for environmental distribution is expected to be the soil and sediment. The Guidance on information requirements and chemical safety assessment, Chapter R7.b (ECHA, 2012) states that once insoluble chemicals enter a standard STP, they will be extensively removed in the primary settling tank and fat trap and thus, only limited amounts will get in contact with activated sludge organisms. Nevertheless, once this contact takes place, these substances are expected to be removed from the water column to a significant degree by adsorption to sewage sludge (Guidance on information requirements and chemical safety assessment, Chapter R.7a, (ECHA, 2012). Thus, discharged concentrations of this substance (if at all) into the aqueous/sediment and soil compartment are likely to be low.

Moreover, bioaccumulation of the target substance is assumed to be lowbased on the molecular weight (MW 759 – 1095) and physico/chemical properties such as low water solubility and high potential for adsorption a reduced availability in water is expected.

In conclusion both substances show a similar environmental fate and behavior.As it can be seen in the data matrix of the analogue justification in IUCLID Section 13, all reliable physico-chemical and environmental fate data from the target and the source substance support this assessment.

A detailed reference list is provided in the technical dossier (see IUCLID, section 13) and within CSR.