Phenoxymethylpenicillin potassium

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:

15 July 2019

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
Batch B 526734
Manufactured by the registrant
Concentration > 95%

Key result

Atm. press.:

1 atm

Decomposition:

yes

Decomp. temp.:

> 190 - < 355 °C

Remarks on result:

other: Decomposition energie measured in air 261 J/g

A clear exothermic effect could be observed in a temperature range of 194 – 283,71 °C with a decomposition energy of 260,83 J/g.

 

Table: Results on melting and boiling point.

No.	Start of the effect [°C]	Energy [J/g]	Remarks
S19-0328-01-A.L01	194	260 (exothermic)	Peak at 224 °C

Conclusions:

According to similar 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 194 °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 starts decomposing at a temperature of 194 °C.

Reference 2

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 entered: N12C(=O)C(NC(=O)COc3ccccc3)C1SC(C)(C)C2C(=O)O(K)

Melting / freezing pt.:

ca. 337.88 °C

Remarks on result:

other: This is the melting point according to Gold and Ogle Method

Melting / freezing pt.:

349.84 °C

Remarks on result:

other: This is the melting point according to Adapted Joback Method.

Conclusions:

The melting temperature was calculated to 340.27 °C.

Executive summary:

The melting temperature was calculated to 340.27 °C (Weighted Value) by the MPBPVP v1.43 programme.

Description of key information

The test item supposedly decomposes around 194 - 284 °C

The calculated melting temperature is 337,88 °C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

337.88 °C