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

Density

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

relative density

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.3 (Relative Density)

GLP compliance:

no

Key result

Type:

relative density

Density:

0.867 g/cm³

Temp.:

25 °C

Conclusions:

In the certificate of analysis of the registered substance, the density was determined at 0.867 g/cm3 according to a EC A3 method.

Reference 2

Endpoint:

relative density

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

Type:

relative density

Remarks:

Results from all availables key studies from source chemicals of the category

Density:

> 0.857 - < 0.87 g/cm³

Temp.:

20 °C

Table1 :Results from key studies on source chemicals of the category

Name	CAS	Fatty acids chain length	Type of alcohol	MW	Appareance	Density
Fatty acids, C8-16, 2- ethylhexylesters	135800-37-2	C8-16	2- Ethylhexanol	256.42 – 368.65	Liquid	(Q)SAR: 0.87 g/cm³ at 20 °C
Fatty acids, coco, 2-ethylhexyl esters	92044-87-6	C12-14	2-ethylhexanol	312.53 – 340.60	liquid	Experimental result: 0.857 – 0.861 g/cm³ at 20 °C
2-Ethylhexyl palmitate	29806-73-3	C16	2-ethylhexanol	368.65	Liquid	Experimental result: 0.858 g/cm³ at 20 °C
Fatty acids, C16-18 and C18-unsatd., 2- ethylhexylesters	85049-37-2	C16-18, C18:1	2- Ethylhexanol	368.65 – 396.7	Liquid	Experimental result: 0.86 g/cm³ at 20 °C
Fatty acids, C16-18, 2-ethylhexyl esters	91031-48-0	C16-18	2-ethylhexanol	368.65 - 396.7	Liquid	Experimental result: 0.86 g/cm3 at 20°C
2-Ethylhexyloleate	26399-02-0	C18:1	2- Ethylhexanol	394.67	Liquid	Experimental result: 0.87 g/cm³ at 20 °C
2-Ethylhexylstearate	22047-49-0	C18	2-ethylhexanol	396.7	Liquid	(Q)SAR: 0.854 -0.86 g/cm³ at 20 °C

 

The physico-chemical properties of the category members are similar or follow a regular pattern over the category. Several members of the category have been tested for their relative density. The tested substances represent different fatty acid chain lengths and levels of saturation ( C12-14; C16 sat.; C16-18 & C18unsat.; C16-18; C18unsat.). The key studies performed on these category members show density between 0.857 to 0.87 g/cm3 at 20°C . These close values are related to the similarity of structures of the category members.

Since the target substance is surrounded by the categories members considering the length of the fatty acid chains, it can be deduced that its density will range between 0.857 to 0.87 g/cm3 at 20°C.    

Conclusions:

Based on the experimental results of the source chemicals of the category, the density of the target substance “isostearate 2-ethyl-hexyl” ranges from 0.857 to 0.87 g/cm3 at 20°C.

Description of key information

The density for the target chemical "Isostearate 2-ethylhexyl" was defined at 0.867 g/cm3.

Key value for chemical safety assessment

Relative density at 20C:

0.867

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 varying fatty acid chain length. This category was made in order to provide sufficient information for physicochemical, ecotoxicological and toxicological caracterisation 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 information

Experimental results were obtained from studies performed on Fatty acids, coco, 2 -ethylhexyl esters, 2 -ethylhexyl palmitate, Fatty acids, C16 -C18 and C18 unsatured 2 -ethylhexyl esters, Fatty acids C16 -18 2 -ethylhexyl ester and 2 -ethylhexyl oleate. The density values obtained in key studies for the category membres ranged from 0.857 to 0.87 g/cm3. Based on the structural similarities of these chemicals, the values are homogenous as expected.

An experimental study on the target substance, isostearate 2 -ethylhexyl, was also performed according to EU Method A.3 (only method and results provided) and it gives a value of 0.867 g/cm3.

Conclusions

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 relative density obtained for the category members, it can be deduced that the target substance has a density between 0.857 to 0.87 g/cm3. An experimental study on the target substance, isostearate 2 -ethylhexyl, was also  performed and it gives a relative density of 0.867 g/cm3 at 20°C. This value was within the expected range given by the category approach based on the structural similarities between source chemicals and target substance. Hence, this experimental relative density value of 0.867 g/cm3 is considered as relevant for assessment.