Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, 2-ethylhexyl ester, (2R)-

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2014-03-21 to 2015-05-21

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7950 (Vapor Pressure)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

gas saturation method

Specific details on test material used for the study:

Test Substance: MCPP-P 2-EHE
Lot No.: CHP0006
Purity: 96.5%

Key result

Temp.:

20 °C

Vapour pressure:

0 Pa

Temp.:

30 °C

Vapour pressure:

0 Pa

Temp.:

40 °C

Vapour pressure:

0 Pa

Method Verification:

m/z 213 was shown to be the predominant ion for both MCPP-P 2-EHE and MCPP-P acid in the source of the LC-MS/MS. Thus, analysis was based quantitatively on this ion. The RSD of 0.168% for the retention time and 3.8% for the concentration show the suitability of the system during analysis. A plot of the peak area of the six standards, which ranged from 19.4 to 504 ng/mL, showed good linearity as indicated by a correlation coefficient of > 0.997. Analysis of blank vapour traps indicated there was no significant matrix interference.

Vapour Trapping Efficiency:

This test was conducted to validate the suitability of the Orbo tubes as the vapour trapping system. The investigations demonstrated that the chosen method was effective under simulated test conditions. The average recoveries from the traps spiked with 293 and 195 ng of MCPP-P 2-EHE were 76.6 ± 5.3 % and 97.9 ± 4.2 %, respectively. These results demonstrated acceptable recoveries of the test substance from the vapour traps and confirmed the acceptability of the Orbo tubes as the vapour trapping system.

Sand Dosing:

The mean recovery of the test substance was 100.7 ± 3.4 % from the first sand dosing, and 89.5 ± 2.8 % from the second. Analysis of the control sand samples demonstrated that there were no impurities that would interfere with the test substance quantitation.

Definitive Test:

The standard curves used for the quantitation of the test substance showed acceptability, with correlation coefficients ≥ 0.998. The average vapour pressure of MCPP-P 2-EHE at 20 ± 1 °C from the three saturator systems (Test Systems 1, 2, and 3) was determined to be 1.19E-04 ± 1.84E-05 Pa. The recovery of test substance from the three vapour traps spiked with 0.203 μg of test substance ranged from 93.6 to 132.8 % during the 20 °C determination. The spiked trap at 132.8% was determined to be an outlier. The average vapour pressure of MCPP-P 2-EHE at 30 ± 1 °C from the three saturator systems (Test Systems 1, 2, and 3) was determined to be 3.71E-05 ± 1.94E-05 Pa. The recovery of test substance from the spiked vapour traps with 0.203 μg of test substance ranged from 74.9 to 76.8 % during the 30 °C determination. The average vapour pressure of MCPPp 2-EHE at 40 ± 1°C from the three saturator systems (Test Systems 1, 2, and 3) was determined to be 3.60E-04 ± 2.17E-04 Pa. The recovery of test substance from the spiked vapour traps with 0.203 μg test substance ranged from 75.7 to 82.0 % during the 40 °C determination. Given the acceptable results from the spikes the trapping of the test substance during the course of the definitive tests was verified to be successful.

Conclusions:

The vapor pressure of MCPP-P 2-EHE was determined to be 1.19E-04 ± 1.84E-05 Pa at 20°C, 3.71E-05 ± 1.94E-05 Pa at 30°C, and 3.60E-04 ± 2.17E-04 Pa at 40°C, respectively.

Executive summary:

A study was conducted according to OECD TG 104 and OPPTS 830.7950 to determine the vapour pressure of the test item using the gas saturation method. Two vapour traps were spiked with the test substance at low and high fortification levels. A non-spiked vapour trap was connected at the end of the system as control trap. Nitrogen was passed through the primarily and secondary spiked vapour traps at three different temperatures and flow rates. The tested temperatures were 20, 30 and 40 °C with the nitrogen flow rates of 10, 12 and 14 mL/min were applied, respectively. After 7 days the test system at 20 °C was terminated, after one day the 30 °C system and after one day the 40 °C system. All vapour traps and control traps were extracted with 20 mL acetonitrile, 5 mL (10 mL for the 30 °C determination) of which was later concentrated by drying under nitrogen and reconstituted with 0.5 mL for low fortification level and 1 mL acetonitrile for high fortification level. All extracts were then analysed by LC-MS/MS. The vapour pressure was determined to be 1.19E-04 Pa at 20 °C, 3.71E-05 Pa at 30 °C and 2.70E-06 Pa at 40 °C, respectively. No observations were made which cause doubt on the validity of the outcome of the study.

Reference 2

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

from 1991-08 to 1992-05-06

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Version / remarks:

1981

Deviations:

no

GLP compliance:

yes

Type of method:

gas saturation method

Specific details on test material used for the study:

Purity: 99.9%
Batch No.: 4624
Emperical formula: C18H27ClO3
CAS No.: 28473-03-2

Temp.:

20 °C

Vapour pressure:

0 Pa

Temp.:

30 °C

Vapour pressure:

0 Pa

Run	Duration (h)	Temperature (°C)	Flow N2(mL/min)	Volume (m^3)	Mass (g) (x 10^-6)	Vapour Pressure (x 10^-4) (Pa)
1 2 3 5	259 382 114 327	20 20 30 30	12.5 12.5 12.5 12.5	0.194 0.287 0.086 0.245	5.04 13.20 5.0 20.60	1.7 3.0 4.0 5.7

 

Individual vapour pressure values at 20 °C were 1.7*10^-4 and 3.0*10^-4 Pa, giving a mean of 2.4*10^-4 Pa.

Individual vapour pressure values at 30 °C were 4.0*10^-4 and 5.7*10^-4 Pa, giving a mean of 4.9*10^-4 Pa.

 

Conclusions:

The vapour pressure of MCPPp 2-EHE was determined to be 2.4*10-4 Pa at 20 °C and 4.9*10-4 Pa at 30 °C, respectively.

Executive summary:

A study was conducted according to OECD TG 104 (1981) to determine the vapour pressure of the test item using the gas saturation method. A standard calibration curve of MCPPp 2 -EHE was preapred. The saturation columns in the Vapour pressure system, were filled with glass beads, which were treated with initially prepared solution of MCPPp 2 -EHE. Nitrogen was passed through the saturation columns at two different temperatures (20 and 30 °C) and a flow rate of 12.5 mL/min. 50 mL methanol was run through each column. After the procedure was finished, the test samples were reconstituted in 2 mL methanol and analysed with a chromatograph with UV detector. The vapour pressure was determined to be 2.4E-04 Pa at 20 °C and 4.9E-04 Pa at 30 °C, respectively. No observations were made which cause doubt on the validity of the outcome of the study.

Description of key information

Key study:

The vapor pressure of MCPP-P 2-EHE was determined to be 1.19E-04 ± 1.84E-05 Pa at 20 °C, 3.71E-05 ± 1.94E-05 Pa at 30 °C, and 3.60E-04 ± 2.17E-04 Pa at 40 °C, respectively.

Supporting study:

The vapour pressure of MCPP-P 2-EHE was determined to be 2.4*10-4 Pa at 20 °C and 4.9*10-4 Pa at 30 °C, respectively.

Key value for chemical safety assessment

Vapour pressure:

0 Pa

at the temperature of:

20 °C

Additional information

A key study was conducted according to OECD TG 104 and OPPTS 830.7950 to determine the vapour pressure of the test item using the gas saturation method [80424, 2015]. Two vapour traps were spiked with the test substance at low and high fortification levels. A non-spiked vapour trap was connected at the end of the system as control trap. Nitrogen was passed through the primarily and secondary spiked vapour traps at three different temperatures and flow rates. The tested temperatures were 20, 30 and 40 °C with the nitrogen flow rates of 10, 12 and 14 mL/min were applied, respectively. After 7 days the test system at 20 °C was terminated, after one day the 30 °C system and after one day the 40 °C system. All vapour traps and control traps were extracted with 20 mL acetonitrile, 5 mL (10 mL for the 30 °C determination) of which was later concentrated by drying under nitrogen and reconstituted with 0.5 mL for low fortification level and 1 mL acetonitrile for high fortification level. All extracts were then analysed by LC-MS/MS. The vapour pressure was determined to be 1.19E-04 Pa at 20 °C, 3.71E-05 Pa at 30 °C and 2.70E-06 Pa at 40 °C, respectively. No observations were made which cause doubt on the validity of the outcome of the study.

In a supporting study [MCPP-P Task Force, 1992] following the same method of analysis, the vapour pressure of MCPP-P 2 -EHE was determined to be 2.4*10-4 Pa at 20 °C and 4.9*10-4 Pa at 30 °C, respectively.