Ethyl palmitate

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

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

secondary literature

Justification for type of information:

Data from Database EPISUITE

Guideline:

other: Only the melting point value is reported in the database without information on the guideline followed.

Key result

Melting / freezing pt.:

24 °C

Conclusions:

The experimental melting point of Ethyl Palmitate is 24 °C, extracted from EPISUITE database.

Reference 2

Endpoint:

melting point/freezing point

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.1 (Melting / Freezing Temperature)

GLP compliance:

no

Key result

Melting / freezing pt.:

24 - 26 °C

Conclusions:

The available certificate of analysis on the registered substance provides a melting point of 25°C determined by a EC A1 method.

Reference 3

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)

Rationale for reliability incl. deficiencies:

other: Read-across category

Justification for type of information:

See attached document in section 0 "Categories" and section 13 "Assessment reports" for justification and rationale for category approach.

Key result

Melting / freezing pt.:

< 23 °C

Atm. press.:

ca. 1 013 hPa

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

Common name	CAS	Fatty acid chain length	Type ofalcohol	MW	Appareance	MP/FP
Isopropyl myristate	110-27-0	C14	Isopropanol	270,46	Liquid	Experimental result: 3 °C at 1013 hPa
Isopropyl palmitate	142-91-6	C16	Isopropanol	298.51	Liquid	Experimental result: 13.5 °C at 1013 hPa
Ethyl linoleate	544-53-4	C18:2	ethanol	308,5	Liquid	Experimental result: <0 °C at 1013 hPa
Ethyl oleate	111-62-6	C18:1	ethanol	310.52	Liquid	no data
Fatty acids, C16-18, butyl esters	85408-76-0	C16-18	Butanol	312.53 – 340.58	Paste	Experimental result: <23 °C at 1013 hPa
Fatty acids, C16-18 and C18-unsatured, isobutyl esters	84988-79-4	C16-18, C18:1	Isobutanol	312.53 – 340.58	Liquid	Experimental result: <5 °C at 1013 hPa (pour point)
Isopropyl isostearate	68171-33-5	C18iso	Isopropanol	326.56	Liquid	Experimental result: <0 °C at 1013 hPa

 

The physico-chemical properties of the category members are similar or follow a regular pattern over the category. It is known that the melting point increases with the length of the alkyl chain. However other factors could have some influence on the results such as length of alcohol, branched or not branched alcohol, the mono or the multi constituent statute of the substances and the respective proportion of longer and shorter alkyl chains in multi-constituents.

Most of the members of the category have been tested for their melting points and they ranged from < 0°C to < 23°C. Different methods have been used( internal method,  pour point, national standards) which can explain the variability of the results, at least partially. Since the melting point increases with the length of the alkyl chain and the alkyl chain "C16" of our target substance is surrounded by the substances of the category, it can be deduced that the target substance will have a melting point < 23°C.

Conclusions:

Most of the source substances of the category have been tested. Experimental results showed melting point values defined as lower than 23°C. Hence, according to the category approach, the target substance ethyl palmitate melting point was defined to be lower than 23°C.

Description of key information

For the target substance, Ethyl palmitate, the melting point is 25°C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

25 °C

Additional information

Justification and rationale of the category approach for Ethyl palmitate

The category group covers alcohol linked to fatty acid chains unsatured and satured, via an ester function. This category includes mono-constituent chemicals and UVCB substances with varying acid chain lengths (from C14 to C18) and alcohol types (ethanol, isopropanol, butanol and isobutanol). This approach was performed in order to provide sufficient information for physicochemical, ecotoxicological and toxicological characterizations of the ethyl palmitate. Based on structural and physic-chemicals similarities, available experimental studies from source chemicals could be used for the target substance ethyl palmitate.

This category group includes:

-       Isopropyl myristate                                                                      CAS 110-27-0

-       Isopropyl palmitate                                                                      CAS 142-91-6

-       Ethyl linoleate                                                                             CAS 544-35-4

-       Ethyl oleate                                                                                 CAS 111 -62-6

-       Fatty acids, C16 -18, butyl esters                                              CAS 85408-76-0

-       Fatty acids, C16 -18 and C18-unsatured isobutyl esters              CAS 84988-79-4

-       Isopropyl isostearate                                                                   CAS 68171-33-5

-       Target substance : Ethyl palmitate                                                CAS 628-97-7

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 the melting point determination.

Most of the members of the category show experimental values for their melting point. Different methods have been used (internal method, pour point, national standards ....) which can explain the variability of the results, at least partially. It is known that the melting point increases with the length of the alkyl chain. However other factors could have some influence on the results such as length of alcohol, branched or not branched alcohol, the mono or the multi constituent statute of the substances and the respective proportion of longer and shorter alkyl chains.    

Based on the studies available on the category members, the melting point is always < 23°C at 1013 hPa. So based on the category approach, it can be deduced that the target substance “Ethyl Palmitate ” will also have a melting point < 23°C.

Additionally a certificate of analysis on “Ethyl palmitate” was provided. A melting point between 24-26 °C was obtained in a study performed according to EU Method A.1 on the registered substance (only result and method provided).

Moreover a melting point for  "Ethyl palmitate" extracted from the database of EPISUITE indicates an experimental melting point of 24°C.

All these values are very close and the internal experimental value of 25°C is chosen as the representative melting point for "Ethyl Palmitate".

Conclusion

According to the Regulation (EC) NO. 1907/2006, Annex XI, 1.5, a Read-Across Category for "Long Chain Fatty Acid (from C14 to C18) and short chain alcohol esters (from C2 to C4) " was performed in order to provide information on Ethyl Palmitate.

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 has a melting point < 23°C. This estimated melting point was confirmed by an experimental melting point of 25°C obtained on “Ethyl Palmitate". Moreover an experimental melting point of 24°C was found in the EPISUITE database. So taking into account the similarity of structures between the category members and using a weight of evidence approach based on the available results, the value of 25°C was considered to be relevant for the target substance "Ethyl Palmitate".