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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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:
other: GLP guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1996
Report date:
1996

Materials and methods

Test guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
GLP compliance:
yes (incl. QA statement)
Type of method:
thermal analysis

Test material

Constituent 1
Chemical structure
Reference substance name:
-
EC Number:
425-150-8
EC Name:
-
Cas Number:
94723-86-1
Molecular formula:
C15 H22 O3 S
IUPAC Name:
2-butanoyl-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
Name of test material (as cited in study report): 625-Triketon
Analytical purity: 99.4g/100g
Lot/batch No.: LJ 27881/1

Results and discussion

Melting / freezing pointopen allclose all
Melting / freezing pt.:
73.6 °C
Atm. press.:
1 013 hPa
Remarks on result:
other: modification of the delivery state
Melting / freezing pt.:
57.5 °C
Atm. press.:
1 013 hPa
Remarks on result:
other: after the first melting and solidification

Any other information on results incl. tables

DSC results:
Lets you freeze the sample after the first melting and then heats up again, then there is the second melting point of about 16 °C lower. Re-solidification and heating does not change anything more. Therefore the substance after the first melting and solidification is in another modification as when delivered.

Both temperatures are given (1.Run / 2. Run).

Melting temperature (extrapolated onset temperature)

   1. Run  2. Run
1. Measurement    + 73,1 °C + 56,9 °C 
2. Measurement    + 74,2 °C  + 57,8 °C
3. Measurement    + 73,8 °C  + 57,7 °C
4. Measurement    + 73,1 °C  + 57,7 °C

Summary:

73.6 °C (modification of the delivery state) and 57.5 °C (further modification in which the modification of the delivery condition
by melting and solidification converts); each ± 0.6 ° C measurement inaccuracy (See test results in detail. )

Applicant's summary and conclusion