(±)-dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

22-Oct-2009 to 08-Feb-2010

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:

2010

Report date:

2010

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

gas saturation method

Test material

Test material information

Constituent 1

Reference substance name:

RS-Pantolactone

IUPAC Name:

RS-Pantolactone

Details on test material:

Identification: RS-Pantolactone
Batch Number: Bx TL 00905003
Purity: 99.7 %
Appearance: Waxy Solid, white
Expiry Date
(as given by the sponsor): May 2011
Expiry Date
(handled at Harlan Laboratories): May 31, 2011
Storage Conditions: At room temperature at about 20 °C

Results and discussion

Vapour pressure

Vapour pressure 1

Temp.:

15.1 °C

Vapour pressure:

0.7 Pa

Vapour pressure 2

Temp.:

25 °C

Vapour pressure:

2 Pa

Vapour pressure 3

Temp.:

34.9 °C

Vapour pressure:

4.9 Pa

Any other information on results incl. tables

Based on a model calculation, the vapor pressure of RS-Pantolactone was measured at ambient temperatures. The experiments were performed at 15.1 °C, 25.0 °C and 34.9 °C. The vapor pressure of RS-Pantolactone 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. The results and the amount of nitrogen used to calculate the vapor pressure of the individual experiments are summarized in Table 2. The tabulated values represent rounded results that were obtained by calculation using the exact raw data. The vapor pressure of RS-Pantolactone was determined at 15.1 °C, 25.0 °C and 34.9 °C.To ensure saturation control, three different flow rates were used at each temperature. From Table 1 and Table 2 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 RS-Pantolactone is:

0.7 Pa at 15.1 °C

2.0 Pa at 25.0 °C

4.9 Pa at 34.9 °C

 

The vapor pressure at 25 °C was interpolated from the vapor pressure curve and was calculated to be 2.0 Pa.

 

The trapping efficiency of the test item RS-Pantolactone in the first cooling trap was very good. Between 99.6% and 100% of the test item was trapped in the first cooling trap. The trapping efficiency results are summarized in Table 3.

 

Figure 1 shows the vapor pressure curve of RS-Pantolactone. The interpolation data are given in Table 4. A typical chromatogram of a standard calibration solution is given in Figure 2. An example of a sample solution chromatogram from the experiment at 25 °C is shown in Figure 3. An example of the calibration data for test item standard is given in Figure 4 and Table 5. The r² fit was 0.9990 (optimum 1.0000). This reflects the suitability of the HPLC-system within the calibration range of 1.236 µg/mL to 98.88 µg/mL of the test item.

 

Table 1       Experimental Parameters used for the Gas Saturation Method of RS-Pantolactone

Column	Temperature	Flow Rate	Collecting Time	Volume V1
No.	[°C]	[mLn/min]	[min]	[mLn]
1	15.1	41.85	4383	183428.55
2		52.90		231860.70
3		59.70		261665.10
1	25	42.30	1313	55539.90
2		53.00		69589.00
3		59.80		78517.40
1	34.9	41.70	131	5462.70
2		53.10		6956.10
3		60.05		7866.55

 

Table 2       Results of the Vapor Pressure Determination of RS-Pantolactone

Column No.	Temp.	Volume* V2	Amount of test item in trap 1	Amount of test item in trap 2	Total amount of test item	Vapor pressure	Average vapor pressure
	[°C]	[mL]	[mg]	[µg]	[mg]	[Pa]	[Pa]
1	15.1	193569	7.916	4.792	7.921	7.5 x 10^-1	7.4 x 10^-1
2		244678	9.404	5.296	9.409	7.1 x 10^-1
3		276130	11.416	7.175	11.423	7.6 x 10^-1
1	25.0	60623	6.097	7.129	6.104	1.9 x 10^0	2.0 x 10^0
2		75958	7.645	4.732	7.650	1.9 x 10^0
3		85704	9.218	5.044	9.223	2.0 x 10^0
1	34.9	6161	1.485	<2.472**	<1.488	4.8 x 10^0	4.9 x 10^0
2		7845	1.992	8.503	2.001	5.0 x 10^0
3		8872	2.262	8.970	2.271	5.0 x 10^0

*       Corrected volume at test temperature as calculated under Volume correction

**      No test item could be detected at the relevant retention time

Table 3       Trapping Efficiency of RS-Pantolactone

Column	Testing Temperature	Amount of test item in 1^sttrap	Amount of test item in 2^ndtrap	Total amount of test item	Trapping efficiency 1^sttrap
No.	[°C]	[mg]	[µg]	[mg]	[%]
1		7.916	4.792	7.921	99.9
2	15.1	9.404	5.296	9.409	99.9
3		11.416	7.175	11.423	99.9
1		6.097	7.129	6.104	99.9
2	25.0	7.645	4.732	7.650	99.9
3		9.218	5.044	9.223	100
1		1.485	< 2.472	< 1.488	> 99.8
2	34.9	1.992	8.503	2.001	99.6
3		2.262	8.970	2.271	99.6

 

Applicant's summary and conclusion

Conclusions:

Calculation of the vapor pressure of RS-Pantolactone at 25 °C by interpolation based upon the simplified Clausius-Clapeyron equation resulted in a vapor pressure of 2.0 Pa at 25 °C.

Executive summary:

During this study, the vapor pressure of the test item RS-Pantolactone has been determined using the gas saturation method. The vapor pressure of RS-Pantolactone was measured at test temperatures of 15.1 °C, 25.0 °C and 34.9 °C and was determined to be

 

0.7 Pa at 15.1 °C

2.0 Pa at 25.0 °C

4.9 Pa at 34.9 °C

 

 

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

 

2.0 Pa at 25 °C