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

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From May 18, 2011 to June 24, 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:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

gas saturation method

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 at <25 °C, dry conditions and protected from light

Results and discussion

Vapour pressure

Temp.:

25 °C

Vapour pressure:

3.8 Pa

Transition / decomposition

Transition / decomposition:

no

Any other information on results incl. tables

Based on the vapour pressure expected for Dehydrolinalool the test was performed at temperatures of 5.8 °C, 15.4 °C and 25.2 °C, respectively.The vapor pressure of Dehydrolinalool at 25 °C was calculated by interpolation from the vapor pressure curve.

 

The experimental parameters for the performance of the vapor pressure determination are summarized in Table 1 (please see full study report) . The results and the amount of nitrogen used to calculate the vapor pressure of the individual experiments are summarized inTable 2(please see full study report).

The tabulated values represent rounded results that were obtained by calculation using the exact raw data. To ensure saturation control, three different flow rates were used at each temperature.From Table 1 and Table 2 (please see attached tables)it can be clearly seen that higher flow rates did not lead to lower vapor pressures, which means that the nitrogen was saturated with test item under the conditions of the test.

 

The experimental results lead to the conclusion that the vapor pressure of the test item Dehydrolinalool is:

5.0 x 10⁰ Pa at 5.8 °C

1.3 x 10¹ Pa at 15.4 °C

4.0 x 10¹ Pa at 25.2 °C

 

The vapor pressure at 25 °C was interpolated from the vapor pressure curve and was calculated to be 3.8 x 10¹  Pa. The trapping efficiency of the test item Dehydrolinalool in the first cooling trap was very good. Between 99% and 100% of the test item was trapped in the first cooling trap.The trapping efficiency results are summarized inTable 3.

 

Figure 1 (attached) shows the vapor pressure curve of Dehydrolinalool. The extrapolation data are given in Table 4.A typical chromatogram of a standard calibration solution is given in Figure 2 (attached). An example of a sample solution chromatogram from the experiment at 5.8 °C is shown in Figure 3 (attached). The calibration data for test item-standards is given in Figure 4 and Table 5 (attached).The r² fit was 1.0000 (optimum 1.0000). This reflects the suitability of the GC-system within the calibration range of 1.171 µg/mL to 93.648 µg/mL of the test item.

 

The good reproducibility and independency of the results from the flow rate led to the conclusion that the results of the vapor pressure determination of the test item Dehydrolinalool are reliable.

Please see Harlan Laboratorys study report Determination of the Vapour Pressure D29492 for full details and tables.

Applicant's summary and conclusion

Conclusions:

Calculation of the vapor pressure of Dehydrolinalool at 25 °C by interpolation based upon the simplified Clausius-Clapeyron equation resulted in a vapor pressure of

3.8 x 10E+1 Pa at 25 °C.

Executive summary:

During this study, the vapor pressure of the test item Dehydrolinalool has been determined using the gas saturation method. The vapor pressure of Dehydrolinalool was measured at test temperatures of 5.8 °C, 15.4 °C and 25.2 °C and was determined to be

 

5.0 x 10⁰Pa at 5.8 °C

1.3 x 10¹Pa at 15.4 °C

4.0 x 10¹Pa at 25.2 °C

 

 

The vapor pressure of Dehydrolinalool at 25 °C was interpolated from the vapor pressure curve and was calculated to be

 

3.8 x 10¹Pa at 25 °C.