Fatty acids, C14-18 and C18-unsatd., branched and linear, 2-ethylhexyl esters

Melting point / freezing point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study without detailed documentation

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

GLP compliance:

no

Key result

Melting / freezing pt.:

< -15 °C

Conclusions:

The available certificate of analysis on the registered substance provides a melting point <-15°C, determined by a EC A1 method.

Reference 2

Endpoint:

melting point/freezing point

Type of information:

read-across based on grouping of substances (category approach)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Read Across Category

Key result

Melting / freezing pt.:

< 10 °C

Atm. press.:

1 013 hPa

Table 1 : Results from key studies on source chemicals for Melting point

ID#	CAS	MP/FP
Fatty acids, C8-16, 2- ethylhexyl esters	135800-37-2	Experimental result: -53 to -30 °C at 1013 hPa
Fatty acids, coco, 2-ethylhexyl esters	92044-87-6	Experimental result: <-20 °C at 1013 hPa
2-Ethylhexyl palmitate	29806-73-3	Experimental result: <2 °C at 1013 hPa (cloud point)
Fatty acids, C16-18 and C18-unsatd., 2- ethylhexyl esters	85049-37-2	Experimental result: -80 to -29 °C at 1013 hPa
Fatty acids, C16-18, 2-ethylhexyl esters	91031-48-0	4°C at 1013 hPa (cloud point)
2-Ethylhexyl oleate	26399-02-0	Experimental result: -20 °C at 1013 hPa
2-Ethyl hexyl stearate	22047-49-0	Experimental result: <10 °C at 1013 hPa

The physico-chemical properties of the category members are similar or follow a regular pattern over the category. All the members of the category have been tested for their melting point. Different methods have been used (standard melting point or cloud point or pour point)  which can explain at least partially the variability of the results. The patterns observed depend also on the fatty acid chains (length of chains, monoconstituents or mixture of fatty acids, ….). Based on the studies available on the category members, the melting point  ranged from -80 to 10°C . The highest values obtained for each source substance are between < +10°C and <-30°C. Since the melting point increases with the length of the alkyl chain and the alkyl chain "C14-18" of our target substance is surrounded by the substances of the category, it can be deduced that the target substance will have a melting point < +10°C.

 

Conclusions:

Based on the results of the available studies, the melting point was ranged from -80 to 10°C for members of the category. According to the read across category approach, the melting point for the target substance can be considered as lower than 10°C .

Description of key information

For the target substance, 2-ethylhexyl isostearate, the melting point was defined at <-15°C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

-15 °C

Additional information

Justification and rationale of the category approach for the isostearate 2-ethyl hexyl :

This category group covers 2-ethyl hexyl esters linked with fatty acid chains (C8 to C18) unsatured and satured. This category includes monoconstituent substances and UVCB substances with varying fatty acid chain length and based on the same alcohol source (2-ethylhexanol). This category was made in order to provide sufficient information for physicochemical, ecotoxicological and toxicological characterization of the Fatty acids, C14-18 and C18-unsatd., branched and linear, 2-ethylhexyl esters (CAS No 85186-76-1).

The category group includes:

- Fatty acids, C8-16, 2-ethylhexyl esters (CAS No 135800-37-2)

- Fatty acids, coco, 2-ethylhexyl esters (CAS No 92044-87-6)

- 2-Ethyl hexyl palmitate (29806-73-3)

- Fatty acids, C16-18 and C18-unsatd., 2-ethylhexyl esters (CAS No 85049-37-2)

- Fatty acids, C16-18, 2-ethylhexyl esters (CAS No 91031-48-0)

- 2-Ethylhexyl oleate (CAS No 26399-02-0)

- 2-Ethyl hexyl stearate (CAS No 22047-49-0)

Target substance for Category Approach : Fatty acids, C14-18 and C18-unsatd., branched and linear, 2-ethylhexyl esters (CAS No 85186-76-1)

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, environmental fate and ecotoxicity, 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)”. Therefore, the available experimental data were collected and evaluated according to Annex XI requirements.

Summary of available studies on source substances for the melting point determination.

All the members of the category have been tested for their melting point. Different methods have been used (standard melting point or cloud point or pour point) which can explain at least partially the variability of the results. The patterns observed depend also on the fatty acid chains (length of chains, mono-constituents or mixture of fatty acids ….). Based on the studies available on the category members, the melting point  ranged from -80 to 10°C . The highest values obtained for each source substance are between < +10°C and <-30°C. Since the melting point increases with the length of the alkyl chain and the alkyl chain "C14-18" of our target substance is surrounded by the substances of the category, it can be deduced that the target substance “isostearate 2-ethyl hexyl” will have a melting point < + 10°C.

Additionally a certificate of analysis on “isostearate 2-ethyl hexyl” was provided. A melting point <-15°C was obtained by a study performed according to EU Method A.1 on the registered substance (only result and method provided).

Conclusion

According to the Regulation (EC) NO. 1907/2006, Annex XI, 1.5, A Read-Across Category for "Long Chain Fatty Acid, 2-ethylhexyl esters" was performed in order to provide information on Isostearate 2-Ethylhexyl .

This category was based on common and shared properties as:

-   common functional group,

-   common precursors and the likelihood of common impurities resulting from common process of manufacturing,

-   chemically structurally similar breakdown products obtained via the same biological processes into the organisms, and

-   constant pattern in the changing of the potency of the properties across the category.

Based on the results obtained for the category members, it can be deduced that the target substance has a melting point < 10°C. This estimated melting point was confirmed by an experimental melting point <-15°C obtained on “isostearate 2-ethyl hexyl”. So taking into account the similarity of structure between the category members and using a weight of evidence approach based on the available results, the value of <-15°C was considered to be relevant for the target substance "Isostearate 2 -ethylhexyl".