Registration Dossier

Administrative data

Description of key information

Acute oral toxicity:
according to OECD 423, in compliance with GLP, RL1 (Fujishima, 2005): 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:
no data available

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 from a reference substance with similar structure and intrinsic properties. Read-across is justified based on common functional group, common 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 from a reference substance with similar structure and intrinsic properties. Read-across is justified based on common functional group, common 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 VIII, 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 study available

Additional information

Justification for grouping of substances and read-across

There are no data available on the acute toxicity of Multi constituent ester of pentaerythritol 2-ethylhexanoate. In order to fulfil the standard information requirements set out in Annex VII-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 physicochemical, toxicological and ecotoxicological properties may be predicted from data for reference substance(s) by interpolation to other substances on the basis of structural similarity, 2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate,Hexanoic acid, 2-ethyl-, 2,2-bis [ [(2-ethyl-1-oxohexyl)oxy] methyl] -1,3-propanediyl ester, and Pentaerythritol tetraesters of n-decanoic, n-heptanoic, n-octanoic and n-valeric acids are selected as source substances for assessment.

Acute Toxicity

CAS

-- (a)

28510-23-8 (b)

7299-99-2 (b)

68424-31-7 (b)

Chemical name

Multi constituent ester of pentaerythritol 2-ethylhexanoate

2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate

Hexanoic acid, 2-ethyl-, 2,2-bis [ [(2-ethyl-1-oxohexyl)oxy] methyl] -1,3-propanediyl ester

Pentaerythritol tetraesters of n-decanoic, n-heptanoic, n-octanoic and n-valeric acids

MW

388.5 - 640.9g/mol

356.5 g/mol

640.9 g/mol

472.6 – 753.1 g/mol

Acute toxicity, oral

RA: CAS 7299-99-2

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

--

--

--

--

 

(a) The substance subject to the REACh Phase-in registration deadline of 31 May 2013 is indicated in bold font. Only for this substance a full set of experimental results and/or read-across is given.

(b) Reference (read-across) substances are indicated in normal font. Lack of data for a given endpoint is indicated by “--“.

The above mentioned substances are considered to be similar on the basis of the similarities in structure, properties and/or activities. The available endpoint information is used to predict the same endpoints for Multi constituent ester of pentaerythritol 2-ethylhexanoate.

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

Discussion

Acute toxicity, oral

The surrogate substanceHexanoic acid, 2-ethyl-, 2,2-bis [ [(2-ethyl-1-oxohexyl)oxy] methyl] -1,3-propanediyl esterwas tested in an OECD 423 study in compliance with GLP (Fujishima, 2005). A dosage of 300 and 2000 mg/kg bw was administered by gavage to groups of six female Crj: CD(SD) rats, respectively. Diarrhoea was observed in one animal receiving 300 mg/kg bw on the administration day. However, no other clinical signs, no effects on body weight gain, and no mortality were observed during the 14-day observation period. Therefore, a LD50 of > 2000 mg/kg bw was determined.

Acute oral toxicity of the structural analogue Pentaerythritol tetraesters of n-decanoic, n-heptanoic, n-octanoic and n-valeric acids was investigated in a limit test with female Swiss mice in a study performed similarly to OECD guideline 401 (Bouffechoux, 1991). After five animals received a single oral dosage of 2 mL/kg bw they were observed for 14 days and their weights were recorded on day 1, 7 and 14 after dosing. Since no mortality occurred and no effect on body weight and no clinical signs of toxicity were observed up to the end of the 14-day observation period, the LD50 was estimated to be > 2 mL/kg bw, corresponding to > 1880 mg/kg bw.

 

Acutetoxicity, inhalation

Acute inhalation toxicity is assessed by use of the data from the structural analogue Pentaerythritol tetraesters of n-decanoic, n-heptanoic, n-octanoic and n-valeric acids, which was tested in 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-days observation period. Other effects observed (hunched posture, chromodacryorrhoea, piloerection, stains around the nose and wet fur) were reversible. 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 toxicity, dermal

The physicochemical and toxicological properties of Multi constituent ester of pentaerythritol 2-ethylhexanoatedo not suggest potential for a significant rate of absorption through the skin. Therefore, testing by the dermal route is deemed not appropriate.

 

Conclusion

In studies performed with analogue substances no oral or inhalation toxicity was observed. A LD50 value of >2000 mg/kg bw was observed for the oral 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 Multi constituent ester of pentaerythritol 2-ethylhexanoate is not acutely toxic via the oral or inhalation route.

 


Justification for selection of acute toxicity – oral endpoint
Hazard assessment is conducted by means of 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 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 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.