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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Boiling point

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Administrative data

Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2013

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR; Advanced Chemistry Development (ACD/Labs) Software V11.02
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Fatty acids, C16-18, reaction products with diethanolamine
EC Number:
293-014-3
EC Name:
Fatty acids, C16-18, reaction products with diethanolamine
Cas Number:
91032-08-5
Molecular formula:
C22H45NO3 to C52H101NO5
IUPAC Name:
Fatty acids, C16-18, reaction products with diethanolamine

Results and discussion

Boiling point
Boiling pt.:
702.8 °C
Atm. press.:
1 013 hPa

Applicant's summary and conclusion

Conclusions:
Based on the results of the autoflammability test (see secton 4.12) and QSAR estimation for the major component [ CAS 55349-70-7; Octadecanoic acid, 2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl ester] with an estimated a boiling point of 702.8±45.0 °C (Press: 760 Torr; Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2013 ACD/Labs), no boiling point determination has been performed