Reaction mass of sodium 1-methoxy-1-oxohexadecane-2-sulphonate and sodium methyl 2-sulphooctadecanoate

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:

supporting study

Study period:

Not indicated

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

Acceptable publication which meets basic scientific principles. The study is performed according to OECD guidelines. Please see overall remarks.

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

not specified

Principles of method if other than guideline:

The method of measurement (e.g. capillary, microscope, ...) was not identified. It was not clear whether duplicate measurements were performed.

GLP compliance:

no

Type of method:

other: Not indicated

Melting / freezing pt.:

167.8 - 175.6 °C

Remarks on result:

other: No other data available.

Conclusions:

The test substance has a melting point between 167.8 and 175.6 ºC.

Reference 2

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

June 12 - September 21, 2000

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study without detailed documentation

Remarks:

Although the method was not described in detail, the guideline was clearly stated: the test was carried out according to OECD guidelines. Kurume Laboratory is furthermore a well-known and trustworthy, respected laboratory. The signature and name of the author was not present, but this is because the report was an English translation of a Japanese study.

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

not specified

Principles of method if other than guideline:

The study was performed according to an established method recommended by OECD 102. It was not stated whether the endpoint was based on a single measurement or duplicate measurements.

GLP compliance:

no

Type of method:

other: melt microscope

Melting / freezing pt.:

178.2 - 181.9 °C

Remarks on result:

other: No other information was available.

Conclusions:

The test substance has a melting point between 178.2 and 181.9 ºC

Reference 3

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

25 September 2006

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

Although the test was not performed under GLP, the test has been conducted according to OECD guidelines and is well documented. The name of the staff performing the test was identified in the report (Ken Yamada).

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

yes

Remarks:

Endpoint based on a single measurement rather than duplicate measurements.

Principles of method if other than guideline:

The study was performed according to an established method recommended by OECD 102. It seems that the endpoint was based on a single measurement rather than duplicate measurements.

GLP compliance:

no

Type of method:

capillary method

Melting / freezing pt.:

> 160.8 - < 166.6 °C

Atm. press.:

101.325 kPa

Remarks on result:

other: No other data was available.

1. Capillary tube in a liquid batch containing silicon oil.

2. the melting range was established as the temperature at which the test substance became wet until the temperature at which it became a transparent gel (i.e. had melted completely).

Conclusions:

The melting point of the tested substance is between 160.8 and 166.6 ºC.

Description of key information

Data for main components:

Melting point of C16MES is between 178.2 and 181.9 ºC

Melting point of C18MES is between 160.8 and 166.6 ºC

Data for similar substance with lower alkyl chain length:

Melting point of C14MES is between 167.8 and 175.6 ºC

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

180 °C

Additional information

The key value for CSA for C16MES is 180 ºC

The key value for CSA for C18MES is 163 ºC

The substance is a reaction mass of sodium 1-methoxy-1-oxohexadecane-2-sulphonate and sodium methyl 2-sulphooctadecanoate consisting of a typical concentration of 73% sodium 1-methoxy-1-oxohexadecane-2-sulphonate (C16MES) and 9.9% sodium methyl 2-sulphooctadecanoate (C18MES). As is stated in R.7.1.2.3, melting points are not normally carried out for mixtures. So, no new study on the reaction mass was conducted. Both data sets of the components received Klimisch values 2 and result in a similar range of temperatures. Furthermore, also the result of a supporting substance C14MES gives temperatures of the same magnitude.

It is concluded that the endpoint of the melting point is sufficiently covered by the available data of the separate components but no definite estimate value can be derived for the reaction mass.