Ethyl decanoate

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

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

Justification for type of information:

See "Assessment reports" section 13 or "Categories" section for the justification and rationale document for category approach.

Key result

Boiling pt.:

<= 264.5 °C

Atm. press.:

1 013 hPa

Table 1: Results from available key studies on the source substances of the category

Common name	CAS	Fatty acid chain length	Type of alcohol	MW	Appareance	BP
Ethyl decanoate	110-38-3	C10	ethanol	200.32	Liquid	No data
Ethyl undecylenate	692-86-4	C11	ethanol	212.33	liquid	Database: 264.5°C
Isopropyl laurate	10233-13-3	C12	Isopropanol	242,41	Liquid	Experimental result: 271 - 280 °C at 1009.8hPa
Octyl octanoate	2306-88-9	C8	octanol(C8)	256,42	Liquid	Experimental result: 306.8 °C at 1013hPa
Isopropyl myristate	110-27-0	C14	Isopropanol	270,46	Liquid	Experimental result: 193 °C at 26.7 hPa
Dodecanoic hexyle	34316-64-8	C12	Hexanol(C6)	284,49	Liquid	Trendanalysis: >300 °C, decomposition probable
Ethyl linoleate	544-35-4	C18:2	ethanol	308,5	Liquid	no data
Ethyl oleate	111-62-6	C18:1	ethanol	310.52	Liquid	Experimental result: 216°C at 20hPa - 207°C at 17.3hPa)
2-ethylhexyl laurate	20292-08-4	C12	2-Ethyl-Hexanol	312,53	Liquid	Experimental result: 315 °C at 1013hPa (initial)
Fatty acids, coco, 2-ethylhexyl esters	92044-87-6	C12-14	2-ethylhexanol	312.53 – 340.60	liquid	Experimental result: 346°C, decomposition

 

Based on the results of the available studies, the boiling points values were ranged from 264.5°C to 346°C for the members of the category tested at atmospheric pressure. The boiling points were lower when tested at weaker pressure. The boiling point is a property which shows positive correlation with the increase of molecular weight and carbon chain length. Since the target substance has the lowest molecular weight and the shortest alkyl chain, its boiling point can be associated to it nearest category member, ethyl undecylenate (only one carbon in addition), which shows a boiling point of 264.5 °C.

Therefore the boiling point of ethyl decanoate is estimated to  be ≤ 264.5 °C at 1013 hPa based on the category approach.

Conclusions:

Based on the results of the available studies, the boiling point was ranged from 264.5 to 346°C for members of the category. According to the read across category approach, the boiling point for the target substance, ethyl decanoate, can be considered as ≤ 264.5°C measured as atmospheric pressure.

Description of key information

According to the read across category approach, the boiling point for the target substance can be considered as ≤ 264.5 °C measured as atmospheric pressure.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

264.5 °C

Additional information

Justification and rationale of the category approach for Ethyl Caprate

This category group covers fatty acid chains linked to alcohols via an ester function. It includes mono-constituent substances and UVCB substances with varying fatty acid chain lengths from C8 to C18-unsaturated and alcohol types (including ethanol, isopropanol, octanol, hexanol and 2-ethylhexanol). This category group was made in order to provide sufficient information for physico-chemical, environmental, ecotoxicological and toxicological characterization of ethyl decanoate (CAS 110-38-3).

This category includes:

-       Target substance:

o       Ethyl decanoate (CAS 110-38-3)

-       Source substances:

o       Ethyl undecylenate (CAS 692-86-4)

o       Isopropyl laurate (CAS 10233-13-3)

o       Octyl octanoate (CAS 2306-88-9)

o       Isopropyl myristate (CAS 110-27-0)

o       Dodecanoic hexyl ester (CAS 34316-64-8)

o       Ethyl linoleate (CAS 544-35-4)

o       Ethyl oleate (CAS 111-62-6)

o       2-Ethylhexyl laurate (CAS 20292-08-4)

o       Fatty acids, coco, 2-ethylhexyl esters (CAS 92044-87-6)

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

All the members of the category were tested for their boiling points, apart from Dodecanoic hexyle ester and Ethyl linoleate. Some members were tested at lower vapour pressure like isopropyl myristate (tested at 26.7 hPa) and Ethyl oleate (tested at 20 hPa) with boiling points of 193°C and 216°C, respectively. For the substances tested at atmospheric pressure, the values ranged from 264.5°C for Ethyl undecylenate (substance source with the lowest molecular weight), that is the nearest substance to the target substance, to the value of 346°C with decomposition, for the substance Fatty acids, coco, 2-ethylhexyl ester, which shows the highest molecular weight.  

Conclusion

According to the Regulation (EC) NO. 1907/2006, Annex XI, 1.5, a Read-Across Category for Medium Chain Fatty Acid (from C8 to C18 unsat.) and alcohol esters (from C2 to C8) was performed in order to provide information on Ethyl Caprate.

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.

Taking into account the category approach, and more specifically the boiling point obtained Ethyl undecylenate which is the nearest substance to the target substance in term of structure and molecular weight, Ethyl decanoate was considered to have a boiling point ≤ 264.5°C at atmospheric pressure.