Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Boiling point

Currently viewing:

Administrative data

Endpoint:
boiling point
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Study period:
2016
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
EPIWin Calculation

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2012
Report date:
2016

Materials and methods

Principles of method if other than guideline:
EPIWin Calculation
GLP compliance:
no
Type of method:
other: EPIWin Calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
Methyl toluene-4-sulphonate
EC Number:
201-283-5
EC Name:
Methyl toluene-4-sulphonate
Cas Number:
80-48-8
Molecular formula:
C8H10O3S
IUPAC Name:
methyl 4-methylbenzene-1-sulfonate
Specific details on test material used for the study:
EPIWin Calculation based on CAS numbe search / structural identity (SMILES)

Results and discussion

Boiling pointopen allclose all
Boiling pt.:
ca. 298.27 °C
Atm. press.:
ca. 780 mm Hg
Decomposition:
no
Key result
Boiling pt.:
ca. 292 °C
Atm. press.:
ca. 760 mm Hg
Decomposition:
no
Remarks on result:
other: Experimental database result

Applicant's summary and conclusion

Conclusions:
Boiling Pt (deg C): 298.27 (Adapted Stein & Brown method)
BP (exp database): 292 deg C