Reaction mass of C12-14 tert-alkylamines and dimethyl hydrogen phosphate and methyl dihydrogen phosphate

Endpoint summary

Description of key information

Appearance (Color, Physical State and Odor)

The physical state of the test substance was determined by visual inspection at room temperature and atmospheric pressure and has been recorded in the Certificate of Analysis (CoA). The colour was determined using method ASTM D1500. The test substance has been determined to be a yellow (1.0 – 2.0 on the ASTM D1500 method scale) liquid at room temperature. No odour was reported (Vanderbilt Chemicals, LLC, 2017).

 

Melting point

In a study performed to the standardized guideline OECD 102, under GLP conditions, the melting point of the test substance was as follows; no endotherms characteristic of a melting temperature were recorded on either test, therefore the melting temperature is <−60°C, however, an endothermic event characteristic of glass transition was observed, with an onset temperature of −34°C.  Various exothermic events were observed from 100 to 400°C, indicating decomposition (Smithers Viscient, 2018).

 

Freezing point

The freezing point of the test substance was evaluated in a study performed to the standardized guideline EU Test Method A.1, under GLP conditions. The freezing point of the test substance has been determined to be <-20°C. After removing the sample from the freezer, no formed crystals were observed. The sample remained a clear yellow viscous liquid (Smithers Viscient/Dekra Insight 2018).

 

Boiling point

The boiling point of the test substance was evaluated in a study performed to the standardized guideline OECD 103, under GLP conditions via the DSC method.  No endotherms characteristic of a melting temperature were recorded on either test, resulting in a melting temperature of <−60°C. However, an endothermic event characteristic of glass transition was seen with an onset temperature of −34°C.   Various exothermic events were observed from 100 to 400°C indicating decomposition (Smithers Viscient, 2018).

 

Relative density

The density of the test substance was evaluated in a study performed to the standardized guideline OECD 109, under GLP conditions. The density has been determined as 1.0155 g/cm3 (1015.5 kg/m^3) at 20°C (mean of 1.0154, 1.0155, 1.0148, 1.0157, and 1.0162 g/cm^3). The relative density was 1.0155 (Smithers Viscient, 2018).

 

Vapour pressure

The vapour pressure of the test substance has been evaluated in a study performed to the standardized guideline OECD 104 under GLP conditions. There was no difference in the FT-IR spectra for the untested, control and tested material; therefore there was no degradation of the test substance during the test. The vapour pressure of the test substance has been determined to be 0.058 mPa at 20°C and 0.118 mPa at 25°C (Smithers Viscient, 2018).

 

Partition coefficient (Waiver and (Q)SAR)

The n-octanol/water partition coefficient could not be reliably determined using standard test methods because the test substance has surface-active properties that will display interfacial properties in aqueous media.  The test substance has been demonstrated to form micelles in aqueous solution.  

 

Water solubility (Waiver and (Q)SAR)

Water solubility could not be determined due to micelle formation in aqueous test solution.

Critical micelle concentrations were determined as follows:

pH 5: 526 µg/mL

pH 7: 363 µg/mL

pH 9: 367 µg/mL

The aqueous solubility could not be determined because the test substance has surface-active properties that will display interfacial properties in aqueous media.  The test substance has been demonstrated to form micelles in aqueous solutions.  Solubility of the test substance was confirmed through a combination of turbidity and critical micelle concentration measurements, but these results are not considered quantitative.  

 

Surface tension

The surface tension of the test substance was investigated in a study performed to the standardized guideline OED 115 under GLP conditions. Due to difficulty in obtaining a reliable aqueous solubility result, an investigation into the formation of micelles was made as part of the aqueous solubility investigation. The surface tension at 90% saturated, or at 1g/L, could not be ascertained. The surface tension value is 513 µg/mL, based on critical micelle concentration (Smithers Viscient, 2018). 

 

Flash point

The flash point of the test substance has been determined in a study performed to the standardized guideline EU Test Method A.9, under GLP conditions. The flash point has been determined to be 101.9°C. The atmospheric pressure at the time of testing was 98.0 kPa (Smithers Viscient, 2018).

 

Auto flammability

The auto-ignition temperature of the test substance has been determined in a study performed to the standardized guideline EU Test Method A.15, under GLP conditions. The auto-ignition temperature has been determined to be 325 ± 7°C. The atmospheric pressure at the time of the last ignition was 101.4 kPa (Smithers Viscient, 2018). 

 

Explosiveness

The explosive properties of the test substance has been determined via DSC and oxygen balance calculations in a study performed to the standardised guideline EU Test Method A.14, under GLP conditions. The test substance has been determined not to have explosive properties (Smithers Viscient 2018).

 

Oxidising properties

The oxidizing properties of the test item has been determined in a study performed to the standardized guideline EU Test Method A.21, under GLP conditions. The test material was found to have a mean pressure rise time greater than that observed for the nitric acid reference sample. The test item is therefore not considered to be an oxidising liquid (Smithers Viscient/Dekra Insight 2018).