Triisononanoic acid, triester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol] tris(2-ethylhexanoate)

Endpoint summary

Description of key information

Acute oral toxicity:
according to OECD 420, in compliance with GLP, RL2 (Baily, 1999): LD50>2000 mg/kg bw
Acute inhalation toxicity:
according to OECD 403, no GLP, RL2 (Parr-Dobrzanski, 1994): LC50>5.1 mg/L air.
Acute dermal toxicity:
according to OECD 402, in compliance with GLP, RL1 (Allan, 1999): LD50>2000 mg/kg bw

Key value for chemical safety assessment

Acute toxicity: via oral route

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Quality of whole database:

The available information comprises an adequate and reliable study (Klimisch score 2 due to read-across) from a reference substance with similar structure and intrinsic properties. Read-across is justified based on common functional groups, common precursors/breakdown products, and similarities in PC/TOX properties (refer to endpoint discussion for further details). The selected study is thus sufficient to fulfil the standard information requirements set out in Annex VII, 8.5, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006.

Acute toxicity: via inhalation route

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Quality of whole database:

The available information comprises an adequate and reliable study (Klimisch score 2 due to read-across) from a reference substance with similar structure and intrinsic properties. Read-across is justified based on common functional groups, common precursors/breakdown products, and similarities in PC/TOX properties (refer to endpoint discussion for further details). The selected study is thus sufficient to fulfil the standard information requirements set out in Annex VII, 8.5, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006.

Acute toxicity: via dermal route

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Quality of whole database:

The available information comprises an adequate and reliable study (Klimisch score 2 due to read-across) from a reference substance with similar structure and intrinsic properties. Read-across is justified based on common functional groups, common precursors/breakdown products, and similarities in PC/TOX properties (refer to endpoint discussion for further details). The selected study is thus sufficient to fulfil the standard information requirements set out in Annex VII, 8.5, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006.

Additional information

Justification for grouping of substances and read-across

There are no data available for the acute toxicity ofDiPE triisononanoate triethylhexanoate(CAS 68443-84-5). In order to fulfil the standard information requirements set out in Annex IX, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006, read-across from structurally related substances 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.

Acute Toxicity

CAS	68443-84-5	67762-52-1	68424-31-7	647028-25-9
Chemical name	DiPE triisononanoate triethylhexanoate	Carboxylic acids, C5-9, hexaesters with dipentaerythritol	Fatty acids, C5-10, esters with pentaerythritol	Dipentaerythritol with fatty acids, C5 and C9 iso
MW	1053.6 g/mol	338.4 g/mol	612.9 g/mol	983-1096 g/mol
Acute toxicity oral	RA: CAS 67762-52-1	Experimental result: LD50 > 2000 mg/kg bw	Experimental result: LD50 > 2000 mg/kg bw	Experimental result: LD50 > 2000 mg/kg bw
Acute toxicity inhalation	RA: CAS 68424-31-7	-	Experimental result: LC50 > 5100 mg/m³	-
Acute toxicity dermal	RA: CAS 647028-25-9	-	-	Experimental result: LD50 > 2000 mg/kg bw

 

The above mentioned substances are considered to be similar on the basis of the structural similar properties and/or activities. The available endpoint information is used to predict the same endpoints forDiPE triisononanoate triethylhexanoate(CAS 68443-84-5).

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

Discussion

Acute oral

Acute oral toxicity was evaluated with data from a GLP study with the analogue substance Carboxylic acids, C5-9, hexaesters with dipentaerythritol, where a limit test was performed according to OECD guideline 420 (Bailey, 1999). Groups of five male and female albino rats received a single dose of 2000 mg/kg bw by gavage and were observed for 14 days. No mortality and no treatment-related effects on clinical signs of toxicology were noted. No treatment-related effects on body weight gain and no treatment-related effects on gross morphology and histopathology could be reported. As no mortality occurred, the LD50 was estimated to be >2000 mg/kg bw.

Acute inhalation

Acute inhalation toxicity is assessed by using data from the structural analogue Fatty acids, C5-10, esters with pentaerythritol, which was tested in a limit test in accordance with OECD guideline 403 (Parr-Dobrzanski, 1994). Five male and female Alpk:APfSD rats were exposed nose only for 4 hours to approximately 5.1 mg/L (analytical concentration of the aerosol of the test material). No mortality occurred and no signs of systemic toxicity were observed during the 14-day observation period. Other effects observed (hunched posture, chromodacryorrhea, piloerection, stains around the nose and wet fur) were noticed during or just after exposure. Body weight gain and lung weight were within normal limits and there were no treatment related gross pathological findings. Based on these data, the LC50 was estimated to be >5.1 mg/L air.  

Acute dermal

Acute dermal toxicity is assessed using data from the analogue substance Dipentaerythritol with fatty acids, C5 and C9iso, which was tested in a GLP study performed according to OECD guideline 402 (Allen, 1999). Five male and five female Sprague-Dawley CD rats received a single application of 2000 mg/kg bw substance onto the clipped back and flank covering 10% of body surface. The substance was held in contact with skin for 24 h by a semiocclusive bandage. After removal of the dressings and subsequently once daily for 14 days, the test sites were also examined for evidence of primary irritation and scored according to the Draize scoring system. No clinical signs of toxicity were observed until the end of the observation period. Also, no effect on body weight was noted and necropsy revealed no substance-related findings. No signs of skin irritation were found. As no mortality occurred during the whole study period, the LD50 was estimated to be >2000 mg/kg bw.

Conclusion

In studies performed withanalogue substances no oral, dermal and inhalation toxicity was observed. A LD50 value of >2000 mg/kg bw was observed for the oral and dermal route and a LC50 >5.1 mg/L was observed after inhalation exposure. In conclusion, the available data of the structural analogue substances indicate that DiPE triisononanoate triethylhexanoateis not acutely toxic via the oral, dermal or inhalation route.

 

Justification for selection of acute toxicity – oral endpoint
Hazard assessment is conducted by means of read-across based on a read-across from a structural analogue. The selected study is the most adequate and reliable study based on the identified similarities in structure and intrinsic properties between source and target substance and overall quality assessment (refer to the endpoint discussion for further details).

Justification for selection of acute toxicity – inhalation endpoint
Hazard assessment is conducted by means of read-across based on a read-across from a structural analogue. The selected study is the most adequate and reliable study based on the identified similarities in structure and intrinsic properties between source and target substance and overall quality assessment (refer to the endpoint discussion for further details).

Justification for selection of acute toxicity – dermal endpoint
Hazard assessment is conducted by means of read-across based on a read-across from a structural analogue. The selected study is the most adequate and reliable study based on the identified similarities in structure and intrinsic properties between source and target substance and overall quality assessment (refer to the endpoint discussion for further details).

Justification for classification or non-classification

The available data on acute toxicity of the test substance do not meet the criteria for classification according to Regulation (EC) 1272/2008 or Directive 67/548/EEC, and are therefore conclusive but not sufficient for classification.