Ethyl decanoate

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

Study period:

Juin 2017

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)

Deviations:

not specified

GLP compliance:

no

Type of method:

other: not specified

Key result

Melting / freezing pt.:

< -20 °C

Conclusions:

The melting point of ethyl decanoate was defined as lower than -20°C according to the provided certificate of analysis.

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)

Justification for type of information:

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

Key result

Melting / freezing pt.:

<= 3 °C

Atm. press.:

1 013 hPa

Decomposition:

yes

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	MP/FP
Ethyl decanoate	110-38-3	C10	ethanol	200.32	Liquid	Experimental result: <-20°C
Ethyl undecylenate	692-86-4	C11	ethanol	212.33	liquid	Experimental result: <0°C
Isopropyl laurate	10233-13-3	C12	Isopropanol	242,41	Liquid	Experimental result: -10 to -6 °C at 1013hPa
Octyl octanoate	2306-88-9	C8	octanol(C8)	256,42	Liquid	Experimental result: -18.1 °C at 1013hPa
Isopropyl myristate	110-27-0	C14	Isopropanol	270,46	Liquid	Experimental result: 3 °C at 1013hPa
Dodecanoic hexylester	34316-64-8	C12	Hexanol(C6)	284,49	Liquid	Experimental result: -6 °C at 1013hPa
Ethyl linoleate	544-35-4	C18:2	ethanol	308,5	Liquid	Experimental result: <0 °C at 1013hPa
Ethyl oleate	111-62-6	C18:1	ethanol	310.52	Liquid	No data
2-ethylhexyl laurate	20292-08-4	C12	2 -ethylhexanol	312,53	Liquid	Experimental result: -30 °C at 1013hPa
Fatty acids, coco, 2-ethylhexyl esters	92044-87-6	C12-14	2-ethylhexanol	312.53 – 340.60	liquid	Experimental result: <-20 °C at 1013hPa

 

The physico-chemical properties of the category members are similar or follow a regular pattern over the category. Almost all the category members have been tested for their melting point. The patterns observed depend on the fatty acid chain length (saturated or unsaturated), the alcohol chain length (linear or branched) and also if the tested substances are mono-constituants or UVCB. Molecular weight of the category members ranges from 200.32 g/mol (ethyl decanoate, target substance) to 340.6 g/mol (fatty acids, coco, 2-ethylhexyl esters). These substances of the category are all liquids characterized by a melting point between ≤ 3°C and -30°C. Since 3°C is the highest value, it can be deduced that the target substance will show a melting point ≤ 3°C.

Conclusions:

Based on the results of the available studies on the members of the category and according to the read across approach, the melting point for the target substance Ethyl Caprate can be considered as ≤ 3°C.

Description of key information

The melting point of ethyl decanoate is considered as lower than -20°C, determined according to the EC A.1 method.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

-20 °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). Some data on the target substance of the category are available.

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.

Almost all the members of the category have been tested for their melting point. The patterns observed depend on the fatty acid chain length, which can be saturated or unsaturated, the alcohol chain length (linear or branched) and also if the tested substances are mono-constituants or UVCB. Molecular weight of the category members ranges from 200.32 g/mol (ethyl decanoate, target substance) to 340.6 g/mol (fatty acids, coco, 2-ethylhexyl esters). Experimental studies are available for both source substances excepted ethyl oleate. These studies were conducted according to different guidelines (EU method A.1, OECD TG 102, ASTM 97, DIN ISO 3016, and ISO 3015). These substances of the category are all liquids characterized by a melting point between ≤3°C and -30°C. Since 3°C is the highest value, it can be deduced that the target substance will show a melting point ≤ 3°C.

Additionally a certificate of analysis on “Ethyl caprate" was provided. A melting point < -20°C °C was obtained in a study performed according to EU Method A.1 on the registered substance (only result and method provided).

All these values are consistent and the internal experimental value of <-20°C is chosen as the representative melting point for Ethyl Caprate.

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.

Based on the results obtained for the category members, it can be deduced that the target substance should have a melting point ≤ 3°C. Additionally, a certificate of analysis was given and the melting point of ethyl decanoate was determined experimentally as lower than -20°C (according to EC A.1 method, however without details on the test conditions). Since this experimental value is not in contradiction with the range estimated via the category approach, it was considered that the melting point of the target substance, Ethyl decanoate, is lower than -20°C using a weight of evidence approach.