DL-thyroxin

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:

3 June 2002

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Comparable to guideline study (OECD102) with acceptable restrictions

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

no

GLP compliance:

no

Type of method:

thermal analysis

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
Product number 460174
Batch 78352001
Manufactured by the registrant
Concentration > 95%

Key result

Decomposition:

yes

Decomp. temp.:

> 175 - < 250 °C

Remarks on result:

other: Decomposition energie measured in air

Remarks:

100 J/g

A broad exothermal effect could be observed in a temperature range of 175 – 250 °C with a decomposition energy of 58 J/g.

Endothermy strarts at 110 °C
First Exothermy starts at 175 °C ends at 250 °C - Exothermic peak: 210 °C
Maximum calorific output: 0,080 W/g
First Exothermic Energy: 58 kJ/kg

Table: Results on melting and boiling point

No.	Start of effect / °C	Energy / J/g	Remark
File 200052-02-0338-01	175	58 (exothermal)

Conclusions:

According to OECD Test Guidelines 102 and 103, and EC No. 440/2008 Part A. Method A.1. and A.2., the test item has no melting and no boiling point at atmospheric pressure (1013 hPa). It decomposes firstly at a temperature of 175 °C.

Executive summary:

According to OECD Test Guidelines 102 and 103, and EC No. 440/2008 Part A. Method A.1. and A.2., the test item has no melting and no boiling point at atmospheric pressure (1013 hPa). It decomposes firstly at a temperature of 175 °C.

Reference 2

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Comparable to guideline study with acceptable restrictions. Standard method without GLP are reported

Qualifier:

no guideline followed

Principles of method if other than guideline:

3 tests were applied:
- Test according to Lütolf in an open vessel. Temperature raise at 2.5 °C/min until 350 °C.
- Test in Radex (rapid detector of exothermic processes) in an open vessel. Temperature raise until 100 °C. Exposure time at 100 °C: 16 h.
- Test according to Grewer in air stream. Temperature raise at 1.2 °C/min until 350 °C.

GLP compliance:

no

Type of method:

thermal analysis

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
Product number 460174
Batch 78352001
Manufactured by the registrant
Concentration > 95%

Key result

Decomposition:

yes

Decomp. temp.:

>= 180 °C

- Test for decomposition according to Lütolf dynamic in an open vessel. Result: First exothermic process at 190 - 245 °C. Peak: 215 °C. dTmax 11 °C.

- Test in Radex (rapid detector of exothermic processes) in an open vessel. Result: No exothermic process up to 100 °C (for 16 h).

- Test for decomposition dynamic according to Grewer in air stream. Result: First exothermic process at 170 - 350 °C. Peak at 210 °C. dTmax 25 °C.

 

Conclusions:

The test substance undergoes an exothermic process (decomposition) starting at ca. 175 °C with a peak at 210°C.

Executive summary:

Three tests were performed:

- Test for decomposition according to Lütolf dynamic in an open vessel. Result: First exothermic process at 190 - 245 °C. Peak: 215 °C. dTmax 11 °C.

- Test in Radex (rapid detector of exothermic processes) in an open vessel. Result: No exothermic process up to 100 °C (for 16 h).

- Test for decomposition dynamic according to Grewer in air stream. Result: First exothermic process at 170 - 350 °C. Peak at 210 °C. dTmax 25 °C.

Reference 3

Endpoint:

melting point/freezing point

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Justification for type of information:

QSAR prediction. The application domain is organic chemicals. Information on the performance, development and application are found under the Help tab of the program. See also https://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface

Qualifier:

no guideline followed

Principles of method if other than guideline:

The melting point is estimated by two different methods; the first is the Joback Group Contribution Method, and the second is a Gold and Ogle method.

GLP compliance:

no

Type of method:

other: QSAR calculation

Specific details on test material used for the study:

SMILES : c1(I)c(Oc2cc(I)c(O)c(I)c2)c(I)cc(CC(N)C(=O)O)c1

Melting / freezing pt.:

332.68 °C

Remarks on result:

other: This is the selected melting point by the programme.

Conclusions:

The melting temperature was calculated to 332.68

Executive summary:

The melting temperature was calculated to 323.06  °C by the MPBPVP v1.43 programme.

Description of key information

The test item supposedly decomposes at range between 175 - 250 °C .

The calculated melting temperature is 332,68 °C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

332.68 °C