Reaction mass of (3R)-3-methyl-5-[(1R,3R)-2,2,3-trimethylcyclopentyl]pentan-2-one and (3S)-3-methyl-5-[(1R,3R)-2,2,3-trimethylcyclopentyl]pentan-2-one

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental Starting Date: 10 June 2014 Experimental Completion Date: 20 December 2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2015

Report date:

2015

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

NACET00502

IUPAC Name:

NACET00502

Constituent 2

Reference substance name:

119464-63-0 (planar)

IUPAC Name:

119464-63-0 (planar)

Test material form:

other: Clear to Pale Yellow Liquid

Details on test material:

Common/Commercial Name: NACET00502
Chemical Name: 3-methyl-5-((1R)-2,2,3-trimethylcyclopentyl)pentane-2-one
CAS Number: 119464-63-0 (planar)
Appearance/Physical State: Clear to Pale Yellow Liquid
Batch: S-13-11-1
Purity: 98.5%
Expiry Date: 24 December 2015
Storage Conditions: Room temperature in the dark

Results and discussion

Boiling point

Boiling pt.:

542 K

Atm. press.:

101.3 kPa

Decomposition:

no

Any other information on results incl. tables

Results

Thermograms and thermographic data for determinations 1 and 2 are shown in Figure 3.3 and Figure 3.4 (Attachment 1 of this Summary) and in the following table.

Table 3.4– Thermographic Data

 

Thermal Event	Interpretation	Temperature
		Determination 1		Determination 2
		ºC	K	ºC	K
Sharp endotherm	Boiling temperature	269	542	269	542

 

Atmospheric pressure             :          101.3 kPa

 

Mean boiling temperature      :          269 ± 1 °C (542 ± 1 K)

Applicant's summary and conclusion

Conclusions:

The boiling temperature of the test item has been determined to be 269 ± 1 °C (542 ± 1 K) at 101.3 kPa.

Executive summary:

The determination was carried out by differential scanning calorimetry, using a procedure designed to be compatible with Method A2 Boiling Temperature of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 103 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

Conclusion

The boiling temperature of the test item has been determined to be 269 ± 1 °C (542 ± 1 K) at 101.3 kPa.