Reaction mass of (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene and cis-1-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexane

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

27 Sep - 10 Dec 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Study conducted in accordance with international guidelines and in accordance with GLP. All guideline criteria were met.

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

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

Specific details on test material used for the study:

RADIOLABELLING INFORMATION (if applicable)
- Radiochemical purity: N/A
- Specific activity: N/A
- Locations of the label: N/A
- Expiration date of radiochemical substance: N/A

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, dark, under nitrogen.
- Stability under test conditions: Assumed stable
- Solubility and stability of the test substance in the solvent/vehicle: N/A
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: N/A

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: N/A
- Preliminary purification step (if any): N/A
- Final dilution of a dissolved solid, stock liquid or gel: N/A
- Final preparation of a solid: N/A

FORM AS APPLIED IN THE TEST (if different from that of starting material)

OTHER SPECIFICS:

Key result

Test no.:

#1

Temp.:

10 °C

Vapour pressure:

>= 5.75 - <= 5.92 Pa

Remarks on result:

other: mean = 5.86 Pa

Remarks:

Constituent 1

Key result

Test no.:

#2

Temp.:

15 °C

Vapour pressure:

>= 9.27 - <= 9.47 Pa

Remarks on result:

other: mean = 9.36 Pa

Remarks:

Constituent 1

Key result

Test no.:

#3

Temp.:

20 °C

Vapour pressure:

>= 12.4 - <= 14.3 Pa

Remarks on result:

other: mean = 13.6 Pa

Remarks:

Constituent 1

Key result

Test no.:

#4

Temp.:

10 °C

Vapour pressure:

>= 0.25 - <= 0.291 Pa

Remarks on result:

other: mean = 0.269 Pa

Remarks:

Constituent 2

Key result

Test no.:

#5

Temp.:

15 °C

Vapour pressure:

>= 0.142 - <= 0.15 Pa

Remarks on result:

other: mean = 0.146 Pa

Remarks:

Constituent 2

Key result

Test no.:

#6

Temp.:

25 °C

Vapour pressure:

>= 1.94 - <= 2.19 Pa

Remarks on result:

other: mean = 2.03 Pa

Remarks:

Constituent 2

Table 1: Results of the Main Vapout Pressure Determination for Constituent One (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene

Saturator Column.	Temp. [°C]	Volume* V [mL]	Mass of Test Item in Trap 1 [µg]	Mass of Test Item in Trap 2 [µg]^#	Total Mass of Test Item [µg]	Vapor Pressure [Pa]	Average Vapor Pressure [Pa] (Std Dev)
A	10	33586	1.42 x 10^4	0	1.42 x 10^4	5.91	5.86   (9.63 x 10^-2)
B		44782	1.84 x 10^4	0	1.84 x 10^4	5.75
C		55977	2.37 x 10^4	0	2.37 x 10^4	5.92
A	15	28483	1.87 x 10^4	0	1.87 x 10^4	9.35	9.36   (9.69 x 10^-2)
B		37977	2.47 x 10^4	0	2.47 x 10^4	9.27
C		47471	3.16 x 10^4	0	3.16 x 10^4	9.47
A	20	11687	1.13 x 10^4	0	1.13 x 10^4	14.0	13.6   (1.05)
B		15583	1.54 x 10^4	0	1.54 x 10^4	14.3
C		19479	1.66 x 10^4	0	1.66 x 10^4	12.4

*  Corrected volume at test temperature as calculated under “Volume correction”

^#0 µg refers to none detected within trap 2

Table 2: Results of the Main Vapour Pressure Determination for Constituent Two (cis-1-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexane)

Saturator Column.	Temp. [°C]	Volume* V [mL]	Mass of Test Item in Trap 1 [µg]	Mass of Test Item in Trap 2 [µg]^#	Total Mass of Test Item [µg]	Vapor Pressure [Pa]	Average Vapor Pressure [Pa] (Std Dev)
A	10	33586	633	0	633	0.266	0.269   (2.07 x 10^-2)
B		44782	795	0	795	0.250
C		55977	1.16 x 10^3	0	1.16 x 10^3	0.291
A	15	28483	415	0	415	0.145	0.146   (3.87 x 10^-3)
B		37977	543	0	543	0.142
C		47471	715	0	715	0.150
A	25	27690	4.34 x 10^3	0	4.34 x 10^3	1.94	2.03   (0.141)
B		36859	6.53 x 10^3	0	6.53 x 10^3	2.19
C		46027	7.28 x 10^3	0	7.28 x 10^3	1.96

*  Corrected volume at test temperature as calculated under “Volume correction”

^#0 µg refers to none detected within trap 2

Conclusions:

The vapour pressure of the test item has been determined to be 20.4 Pa at 25 °C for constituent one ((4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene) and 1.90 Pa at 25 °C for constituent two (cis-1-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexane).

Executive summary:

The vapour pressure of the two constituents of the Reaction mass of (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene and cis-1-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexane was determined using the gas saturation method, which is designed to be compatible with EU Method A.4 and OECD Guideline 104.

A stream of inert carrier gas was passed over aliquots of the test item in such a way that it became saturated with its vapour, which was subsequently collected in a suitable trap. Measurements of the amount of material transported by a known amount of carrier gas were used to calculate the vapour pressure at a given temperature using gas chromatography. Vapour pressures of the test item at given temperatures were plotted using linear regression. The vapour pressure of the test item at 25 °C was extrapolated from the regression data.

The vapour pressure of the test item has been determined to be 20.4 Pa at 25 °C for constituent one ((4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene) and 1.90 Pa at 25 °C for constituent two (cis-1-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexane).

Description of key information

OECD 104, 2017 - The vapour pressure of the two constituents of the Reaction mass of (4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene and cis-1-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexane was determined using the gas saturation method, which is designed to be compatible with EU Method A.4 and OECD Guideline 104.

The vapour pressure of the test item has been determined to be 20.4 Pa at 25 °C for constituent one ((4R)-4-(2-methoxypropan-2-yl)-1-methylcyclohexene) and 1.90 Pa at 25 °C for constituent two (cis-1-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexane).

Key value for chemical safety assessment

Vapour pressure:

20.4 Pa

at the temperature of:

25 °C