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

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

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

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: read across category

Key result

Water solubility:

< 0.05 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

>= 6 - <= 6.7

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

Name	CAS	Fatty acids chain length	Type of alcohol	MW	Appareance	WaterSolubility
Fatty acids, C8-16, 2- ethylhexylesters	135800-37-2	C8-16	2- Ethylhexanol	256.42 – 368.65	Liquid	No data
Fatty acids, coco, 2-ethylhexyl esters	92044-87-6	C12-14	2-ethylhexanol	312.53 – 340.60	liquid	Experimental result: <0.05 mg/L at 20 °C
2-Ethylhexyl palmitate	29806-73-3	C16	2-ethylhexanol	368.65	Liquid	Estimated result: 4.13E-006 mg/L at 25 °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: <0.05 mg/L at 20 °C
Fatty acids, C16-18, 2-ethylhexyl esters	91031-48-0	C16-18	2-ethylhexanol	368.65 - 396.7	Liquid	No data
2-Ethylhexyloleate	26399-02-0	C18:1	2- Ethylhexanol	394.67	Liquid	No data
2-Ethylhexylstearate	22047-49-0	C18	2-ethylhexanol	396.7	Liquid	Experimental result: <0.05 mg/L 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 water solubility. The tested substances represent different fatty acid chain lengths and levels of saturation (C12-14; C16 sat.; C16-18 & C18unsat.;C18 sat.). All these studies performed on these category members show a water solubility < 0.05 mg/L at 20°C. These similar results are related to the similarity of structures of the category members, and specifically to the presence of long fatty acid chains which confer hydrophobic properties.  

The target substance is surrounded by the categories members considering the length of its fatty acid chain. So its water solubility was defined as less than 0.05 mg/L at 20°C and “Isostearate 2-ethylhexyl” was considered to have a very low water solubility.

Conclusions:

The results from studies performed on source chemicals of the category demonstrate a water solubility less than 0.05 mg/L. According to these experimental results and the category approach, the water solubility of the target substance was defined to be less than 0.05 mg/L at 20°C, and “isostearate 2-ethylhexyle” was considered to have a very low solubility.

Description of key information

The water solubility for the target substance was defined to be less than 0.05 mg/L at 20°C and “Isostearate 2-ethylhexyl” was considered to have a very low water solubility.

Key value for chemical safety assessment

Water solubility:

0.05 mg/L

at the temperature of:

20 °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 water solubility

The physical-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 water solubility. The tested substances represent different fatty acid chain lengths and levels of saturation ( C12-14 sat.; C16 sat.; C16-18 & C18 unsat.; C18 sat.). All these studies performed on these category members show a water solubility < 0.05 mg/L at 20°C. These similar results  are related to the similarity of structures of the category members, and specifically to the presence of long fatty acid chains which confer hydrophobic properties.  

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.

Experimental results were obtained from studies on several category members which all show water solubility less than 0.05 mg/L. Based on the structural similarities between the target and the sources chemicals, water solubility for the target substance was defined to be less than 0.05 mg/L at 20°C and “Isostearate 2-ethylhexyl” was considered to have a very low water solubility.