Registration Dossier

Diss Factsheets

Physical & Chemical properties

Boiling point

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
boiling 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 (OECD103) with acceptable restrictions
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Deviations:
no
GLP compliance:
no
Type of method:
differential thermal analysis
Specific details on test material used for the study:
Manufactured by the Subimitter,
Batch number 78352001
Purity > 95%
Key result
Decomposition:
yes
Decomp. temp.:
> 175 - < 250 °C

A broad exothermal effect could be observed in a temperature range of 175 – 250 °C with a peak at 210 C decomposition energy of -58J/g (mean value).


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 7-Aminocephalosporanic acid has no melting and no boiling point at atmospheric pressure (1013 hPa). It decomposes firstly at a temperature of 175 °C.
Executive summary:

The test item decomposes at 175 °C, without melting.

Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2021
Reliability:
2 (reliable with restrictions)
Qualifier:
no guideline followed
Principles of method if other than guideline:
The estimation methodology for boiling point is adapted from the Adapted Stein & Brown method
GLP compliance:
no
Type of method:
other: calcucation by QSAR
Specific details on test material used for the study:
The following SMILES code was entered: c1(I)c(Oc2cc(I)c(O)c(I)c2)c(I)cc(CC(N)C(=O)O)c1
Boiling pt.:
>= 676.27 °C
Conclusions:
The boiling temperature was calculated to 676,27 °C.
Executive summary:

The boiling temperature was calculated to 676,27 °C using the MPBPVP v1.43 tool within EpiSuite v4.1 programme.

Description of key information

The test item is suspected to decompose between 210 and 240 °C.The calculated boiling point is 676,27 °C.

Key value for chemical safety assessment

Additional information