Ethyl decanoate

Density

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

relative density

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.3 (Relative Density)

Deviations:

not specified

GLP compliance:

no

Type of method:

other: Not specified

Key result

Type:

relative density

Density:

0.865 g/cm³

Temp.:

20 °C

Conclusions:

According to the data of the certificate of analysis, the relative density of ethyl decanoate was assessed according to EC A3 method and was defined at 0.865 g/cm3 at 20°C.

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

Justification for type of information:

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

Key result

Type:

relative density

Density:

>= 0.853 - <= 0.879 g/cm³

Temp.:

20 °C

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	Density
Ethyl decanoate	110-38-3	C10	ethanol	200.32	Liquid	Experimental result: 0.865g/cm3 at 20°C
Ethyl undecylenate	692-86-4	C11	ethanol	212.33	liquid	Experimental result: 0.878g/cm3 at 20°C
Isopropyl laurate	10233-13-3	C12	Isopropanol	242,41	Liquid	Experimental result: 0.853 g/cm³ at 20 °C
Octyl octanoate	2306-88-9	C8	octanol (C8)	256,42	Liquid	Experimental result: 0.8554 g/cm³ at 23 °C
Isopropyl myristate	110-27-0	C14	Isopropanol	270,46	Liquid	Experimental result: 0.8532 g/cm³ at 20 °C
Dodecanoic hexyl ester	34316-64-8	C12	Hexanol (C6)	284,49	Liquid	(Q)SAR: 0.86 g/cm³ at 20 °C
Ethyl linoleate	544-35-4	C18:2	ethanol	308,5	Liquid	Experimental result: 0.875-0.879 g/cm² at 20 °C
Ethyl oleate	111-62-6	C18:1	ethanol	310.52	Liquid	Experimental result: 0.872 g/cm² at 20 °C
2-ethylhexyl laurate	20292-08-4	C12	2-Ethylhexanol	312,53	Liquid	Experimental result: 0.86 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

 

Experimental results were obtained from studies performed on all the members of the category, except for dodecanoic hexyl ester, for which a QSAR was performed. The density values obtained in key studies ranged from 0.853 to 0.879 g/cm3 at 20°C. Due to structural similarities of these chemicals, the values are homogenous as expected.

Based on the relative density obtained for the category members, it can be deduced that the target substance, ethyl decanoate, has a density between 0.853 and 0.879g/cm3 at 20°C.

Conclusions:

Based on the results from source chemicals of the category, the density of Ethyl decanoate ranges from 0.853 to 0.879 g/cm3 at 20°C.

Description of key information

The density of ethyl decanoate was defined as 0.865 g/cm3 at 20°C.

Key value for chemical safety assessment

Relative density at 20C:

0.865

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 information

All the source substances were assessed for density using handbook informations, QSAR or study performed according to OECD TG 109, ISO 2099 and EU Method A.3. Based on the results obtained for the category members, the density of the target substance ethyl decanoate was considered to be in the range of 0.853 to 0.879 g/cm3 at 20°C.

An experimental study on the target substance, Ethyl decanoate, was also performed according to EU Method A.3 (only method and results provided) and it gives a value of 0.865 g/cm3 at 20°C.

Conclusions

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 relative density obtained for the category members, it can be deduced that the target substance has a density between 0.853 to 0.879 g/cm3 at 20°C. Additionaly an experimental study on the target substance, Ethyl decanoate, was also performed and it gives a relative density of 0.865 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 value of 0.865 g/cm3 is considered relevant for the relative density assessment.