3,7-dimethyloct-6-en-1-yn-3-ol

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from May 04, 2011 to June 21, 2011.

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:

2011

Report date:

2011

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 (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

3,7-dimethyloct-6-en-1-yn-3-ol

EC Number:

249-482-6

EC Name:

3,7-dimethyloct-6-en-1-yn-3-ol

Cas Number:

29171-20-8

Molecular formula:

C10H16O

IUPAC Name:

3,7-dimethyloct-6-en-1-yn-3-ol

Details on test material:

Identification: Dehydrolinalool
Batch Number: UU11034847
Purity: 99.0%
Expiry Date: March 01, 2013
Storage Conditions: At room temperature (<25 °C), dry conditions and protected from light
Storage Conditions at Harlan Laboratories:
At room temperature at 20 °C ± 5 °C

Results and discussion

Boiling point

Boiling pt.:

470.6 K

Atm. press.:

99.6 kPa

Decomposition:

no

Any other information on results incl. tables

The DSC-curve of the preliminary test (heating rate of 20 °C/min from 25 °C to 400 °C) is shown inFigure1. An endothermic heat effect, the boiling, was detected at 198.1 °C. After the experiment, the sample had lost 99.6% of its mass and few brownish residues remained. The DSC-curve is given in Figure 1.

In order to determine the boiling point more precisely, further DSC-runs were recorded between 150 °C and 250 °C with a heating rate of 10 °C/min. During these runs, the boiling point was determined to be 197.5 °C and 197.2 °C. The samples lost 97.5% and 96.6% of their mass, respectively. After the measurements only a small yellowish residue remained. The DSC curve of the first main test is given inFigure2. The results of the thermal analysis are summarized inTable 1.

Table1       Determination of the Boiling Point of Dehydrolinalool (Summary)

	[°C]	Heating Rate [°C/min]	Boiling Point [°C]	Boiling Point [K]
Preliminary Test	25 - 400	20	198.1	471.3
1^stMain Test	150 - 250	10	197.5	470.7
2^ndMain Test	150 - 250	10	197.2	470.4
Mean of boiling point: Standard deviation (±):			197.4 0.2	470.6 0.2

 

The mean boiling point was calculated from the bold values (onset point of the endothermic reaction).

 

The tabulated values represent rounded results obtained by calculation using the exact raw data.

Applicant's summary and conclusion

Conclusions:

The aim of this study was to determine the boiling point/range of Dehydrolinalool.

The boiling point of Dehydrolinalool was determined to be

197.4 °C,

which is equal to 470.6 K.

The estimated accuracy is ± 0.5 K.


The atmospheric pressure during the boiling point measurements was 99.6 kPa.

Executive summary:

The boiling point of Dehydrolinalool was determined to be

 

                                                                 197.4 °C,

which is equal to                                        470.6 K.

 

 

This result was obtained using Differential Scanning Calorimetry (Thermal Analysis) method.

 

The atmospheric pressure during the measurements was 99.6 kPa.