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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2011
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: test item is present as aqueous solution or as highly viscous liquid; as the standard test method is not applicable to liquid and highly viscous test items, the melting point was calculated
Cross-referenceopen allclose all
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to other study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
estimation of melting point by EPI-Suite v4.10 using Smiles-Code
GLP compliance:
no
Type of method:
other: estimation with EPI-Suite software v4.10

Test material

Constituent 1
Details on test material:
- CAS-Number: 407-64-7
- SMILES-Code: O=C(O)CCCN(C)(C)C

Results and discussion

Melting / freezing point
Melting / freezing pt.:
172.96 °C
Remarks on result:
other: estimated value

Applicant's summary and conclusion

Conclusions:
Test not performed as the test item is a liquid; therefore the melting point was estimated to be 172.96°C
Executive summary:

A melting point could not be measured experimentically and was therefore calculated with Episuite. A value of 172.96°C was found. The calculation was done in 2011 using the EPI-Suite software v4.10.