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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Study period:
May-July 2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study, to GLP

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/boiling range)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
differential scanning calorimetry

Test material

Constituent 1
Reference substance name:
celery ketone
IUPAC Name:
celery ketone
Constituent 2
Chemical structure
Reference substance name:
3-methyl-5-propylcyclohex-2-enone
EC Number:
223-069-0
EC Name:
3-methyl-5-propylcyclohex-2-enone
Cas Number:
3720-16-9
Molecular formula:
C10H16O
IUPAC Name:
3-methyl-5-propylcyclohex-2-en-1-one
Test material form:
other: liquid
Details on test material:
- Name of test material (as cited in study report): 3-Methyl-5-propylcyclohex-2-enone
- Substance type: Pure active substance
- Physical state: Extremely pale yellow liquid
- Analytical purity: 99.9%
- Impurities (identity and concentrations): Not specified
- Composition of test material, percentage of components: 3-Methyl-5-propylcyclohex-2-enone 99.9%
- Isomers composition: Not applicable
- Purity test date: Not available
- Lot/batch No.: SC00005427
- Expiration date of the lot/batch: 16 December 2014
- Stability under test conditions: Not available
- Storage condition of test material: Room temperature, protect from light

Results and discussion

Boiling point
Boiling pt.:
249 °C
Atm. press.:
> 100 - < 100.7 kPa

Applicant's summary and conclusion

Conclusions:
The standard boiling point of Celery Ketone is 249 ± 1 deg C (522 ± 1 K).
Executive summary:

In an OECD guideline study (TG 103), conducted to GLP, the boiling point of Celery Ketone was determined to be 249 ± 1 deg C (522 ± 1 K).