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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2014
Report date:
2014

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling Point)
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
GLP compliance:
yes (incl. QA statement)
Type of method:
method according to Siwoloboff

Test material

Constituent 1
Chemical structure
Reference substance name:
(E)-3,5-dimethylhex-3-en-2-one
EC Number:
606-014-9
Cas Number:
18402-86-3
Molecular formula:
C8H14O
IUPAC Name:
(E)-3,5-dimethylhex-3-en-2-one
impurity 1
Reference substance name:
(E)-3,4-dimethylhex-4-en-2-one
Cas Number:
20685-50-1
Molecular formula:
C8H14O
IUPAC Name:
(E)-3,4-dimethylhex-4-en-2-one
impurity 2
Reference substance name:
3,5-dimethylhex-4-en-2-one
Cas Number:
36616-77-0
Molecular formula:
C8H14O
IUPAC Name:
3,5-dimethylhex-4-en-2-one
Test material form:
liquid
Specific details on test material used for the study:
Commercial Name: Secodemone
Givaudan Code No.: 0029283
Chemical Nature: (E)-3,5-dimethylhex-3-en-2-one
Empirical Formula: C8H14O
Molecular weight: 126.20 g/mol
CAS No.: 18402-86-3
Aspect: colourless to pale yellow liquid
Lot No.: SC00010091
Expiration Date: October 31, 2016

Results and discussion

Boiling point
Boiling pt.:
164 °C
Atm. press.:
101.325 kPa

Applicant's summary and conclusion

Conclusions:
The boiling point of Secodemone was measured according to the OECD Guideline No. 103 (principle according to Siwoloboff)). The result can be expressed as follows (values rounded off):
The boiling point of Secodemone: 437 K (164 °C)