Glycine, N-acetyl-N-[3-(trifluoromethyl)phenyl]valyl-, ethyl ester

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

-

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

-

Deviations:

no

GLP compliance:

no

Type of method:

capillary method

Test material

Test material information

Constituent 1

Reference substance name:

Glycine, N-acetyl-N-[3-(trifluoromethyl)phenyl]valyl-, ethyl ester

EC Number:

609-496-9

Cas Number:

379685-94-6

Molecular formula:

C18H23F3N2O4

IUPAC Name:

Glycine, N-acetyl-N-[3-(trifluoromethyl)phenyl]valyl-, ethyl ester

Test material form:

solid: particulate/powder

Remarks:

Off white to beige powder with agglomerates

Specific details on test material used for the study:

- Analytical purity: 98.5% (HPLC)- Lot/batch No.: 0161045- Expiration date of the lot/batch: 2018/06/16

Results and discussion

Melting / freezing point

Key result

Melting / freezing pt.:

>= 94.3 - <= 96.3 °C

Atm. press.:

ca. 1 atm

Decomposition:

no

Any other information on results incl. tables

Findings

Pre-Test

The test substance started to melt at 96.2 °C and was completely melted to a clear colourless liquid at 97.0 °C.

Main Study

The following values were recorded:

Melting Point/Range	Begin	End
First determination	94.3 °C (367.5 K)	96.3 °C (369.5 K)
Second determination	94.2 °C (367.4 K)	96.2 °C (369.4 K)

 

Results and Validity

Result Test substance MEXORYL SAR/20

The mean between both determinations gives the following value for the melting range:

Melting range:                         94.3 to 96.3 °C (367.5 to 369.5 K)

Standard deviation:                  0.1 (begin); 0.1 (end)

Estimated accuracy:                ± 0.1 °C

Validity

All validity criteria were met, as can be taken from the following table.

Parameter	Criterion	Found	Assessment
Difference between duplicate determinations	=< 0.5 K	0.1 K	valid
Difference between begin and end of melting process	=< 0.5 K	2.0 K	melting range is stated

 

Applicant's summary and conclusion

Conclusions:

The mean between both determinations gives the following value for the melting range:Melting range: 94.3 to 96.3 °C (367.5 to 369.5 K)

Executive summary:

The melting point of the test item has been determing with a not-GLP compliant study, according to standard guideline OECD TG 102. The capillary method using an aluminium block was used.

The test tube containing the capillary tube with the test substance was set into the block for melting points at 80.0 °C (first determination and 80.5 °C second determination). For the increase of the temperature, a temperature gradient of =< 1 °C/min was maintained. The temperature, at which the first signs of changes of the test substances could be observed, was noted.

The mean between both determinations gives the following value for the melting range:

Melting range: 94.3 to 96.3 °C (367.5 to 369.5 K).

All validity criteria were met.