Reaction products of 7-hydroxy-3,7-dimethyloctanal and methyl 2-aminobenzoate

Melting point / freezing point

Link to relevant study record(s)

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

The study was conducted between 10 March 2014 and 30 April 2014.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

method to determine freezing temperature

Specific details on test material used for the study:

Lot No.: VE00313054
Aspect: Yellow viscous liquid

Melting / freezing pt.:

< -50 °C

Both samples did not freeze under the conditions of the test.

Conclusions:

The freezing point of Aurantiol Pure was determined to be <-50.0°C (223.15K)

Executive summary:

The freezing point of Aurantiol Pure was determined according to OECD guideline 102.

The freezing point of Aurantiol Pure was determined to be <-50.0°C (223.15K)

Description of key information

The freezing temperature of the test item has been determined to be less than -50 °C (<223.15 K), using a procedure designed to be compatible with Method A1 Melting/Freezing Temperature of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 102 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

-50 °C

Additional information

For the purposes of environmental exposure assessment, the melting point is required for solids to estimate sub-cooled liquid vapour pressure. Given that no freezing was observed for Aurantiol down to a temperature of -50 °C, it is assumed that all components, including the Hydroxycitronellal (typically 14% in Aurantiol) and Methyl Anthranilate (typically 15%) that are being used for the environmental risk assessment, would be in a liquid form in the environment. This is supported by information available on the ECHA website for Hydroxycitronellal,  melting / freezing point < -100 °C (CAS 203-518-7). However, pure Methyl anthranilate is reported to have a melting point value of 24.5°C (Experimental value, SRC’s PHYSPROP database, found in Episuite and OECD Toolbox 3.4.0.17, CAS 134-20-3) and 25.23°C (Experimental value, ECHA website, REACH dossier). In reality, methyl anthranilate released into the environment from the use of Aurantiol is not expected to solidify because other components in these complex matrices (e.g. other organic compounds, salts, natural organic matter etc) will result in a lower melting point due to a process called melting point depression. 

Hence the value of -50°C has been assigned to the two assessment entities being used for the environmental exposure and risk assessment.