2,2-bis[(allyloxy)methyl]butyl (3-{[({2,2-bis[(allyloxy)methyl]butoxy}carbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)carbamate

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:

key study

Study period:

01 August 2017 to 14 August 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

2008

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Key result

Melting / freezing pt.:

< -80 °C

-Preliminary Test:

Starting at 225°C, the weight of the sample decreased significantly. At 298°C, the sample weight had decreased by 25%. After the experiment no residue was observed in the sample container.

- Main Study:

Experiment 1 - During cooling, no effects were observed which were due to crystallisation of the test material. During heating, an exothermic signal was observed between 300 and 350°C. After the experiment, however, it was observed that the sample container had fallen off its platform. This event might have caused the exothermic signal and it was decided not to consider it during data interpretation. A yellow/brown residue remained in the sample container. The change of the colour indicated reaction and/or decomposition of the test material.

Experiment 2 - Less test material was used. An endothermic peak was observed between 275 and 375°C. The endothermic effect was due to reaction and/or decomposition of the test material. After the experiment, a yellow/brown residue remained in the sample container (original colour: colourless). The change of the colour confirmed reaction and/or decomposition of the test material.

- An additional investigation of the melting temperature of the test material was performed placing two subsamples of the test material for 25 hours at -23.2 ± 0.4°C and at -82.0 ± 2.5°C, respectively. It was observed after storage that the test material was a very viscous liquid (in ¿ -15°C freezer and ¿ -75°C freezer). It was concluded that the melting temperature of the test material is < -80°C (< 193K).

Conclusions:

Under the conditions of this study it was concluded that the melting temperature of the test material is < -80°C (< 193K).

Executive summary:

The melting point of the test material was investigated in accordance with the standardised guidelines OECD 102, EU Method A.1. and OPPTS 830.7200 under GLP conditions using the Differential Scanning Calorimetry. Under the conditions of this study it was concluded that the melting temperature of the test material is < -80°C (< 193K).

Reference 2

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

11 July 2009 to 15 August 2009

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

comparable to guideline study with acceptable restrictions

Qualifier:

according to guideline

Guideline:

other: "Guidelines for testing of chemicals", State Environmental Protection Administration (SEPA) of China, No.102

Deviations:

no

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

- Storage: cool and dark

Key result

Melting / freezing pt.:

-4.1 °C

Results showed that there are 4 endothermic peaks as -49.6, -22.4, - 4.1 and -19.2°C. As there is enantiomer and a little of impurity in this sample, more than one of the peaks appear in the curve. In view of the phenomenon that there is some semi-solid appearing with the conglutination increasing when stored below 0°C, it can be concluded that the melting point (freezing point) is around 0°C. - 4.1°C is considered to be the starting melting point (freezing point).

Conclusions:

Under the conditions of this study the melting point of the test material was -4.1°C.

Executive summary:

The melting point of the test material was investigated in accordance with the standardised guideline: Guidelines for testing ofchemicals", State Environmental Protection Administration (SEPA) of China, No.102 with reference to OECD 102 and under GLP conditions. Results showed that there were 4 endothermic peaks as -49.6, -22.4, - 4.1 and -19.2°C. In view of the phenomenon that there is some semi-solid appearing with the conglutination increasing when stored below 0°C, it can be concluded that the melting point (freezing point) is around 0°C. Under the conditions of this study the melting point of the test material was -4.1°C.

Description of key information

Under the conditions of this study it was concluded that the melting temperature of the test material is < -80°C (< 193K).

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

-80 °C

Additional information

Key Study (Reingruber, 2017)

The melting point of the test material was investigated in accordance with the standardised guidelines OECD 102, EU Method A.1. and OPPTS 830.7200 under GLP conditions using the Differential Scanning Calorimetry. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997). Under the conditions of the study, it was concluded that the melting temperature of the test material is < -80ºC (< 193K).

Supporting Study (He, 2009)

The melting point of the test material was investigated in accordance with the standardised guideline: Guidelines for testing of chemicals", State Environmental Protection Administration (SEPA) of China, No. 102 with reference to OECD 102 and under GLP conditions. The study was awarded a reliability score of 2 in accordance with the criteria set forth by Klimisch et al. (1997). Results showed that there are 4 endothermic peaks as -49.6, -22.4, - 4.1 and -19.2°C. As there is enantiomer and a little of impurity in this sample, more than one of the peaks appear in the curve. In view of the phenomenon that there is some semi-solid appearing with the conglutination increasing when stored below 0°C, it can be concluded that the melting point (freezing point) is around 0°C. - 4.1°C is considered to be the starting melting point (freezing point).