Phosphorous ester

Endpoint summary

Additional information

Appearance/physical state/colour

GARDO TP is a liquid brown substance with a perceptible odour.

Melting point

For the determination of the melting point /freezing point the sample was investigated over a temperature range of -130 °C to + 500 °C and at heating rate of 10 K/m.

A defined melting point was not determined. The glass transition temperature of -53 °C indicates an amorphous behaviour of the sample. An exotherm reaction occurs at + 168 °C followed by decomposition.

Boiling point

The boiling point is not determinable because the substance decomposes at 168°C.

Density

The densitiy was determined by a pyknometer for pasty analytes in a duplicate measurement at 20 °C.

ρ1 = 1,0665 g/mL

ρ2 = 1,0643 g/mL

ρmean = 1,0654 g/mL

ρrelative = 1,0654

Granulometry

According to Section 7.14 of Annex VII Granulometry, does not need to be conducted if the substance is marketed or used in a non solid or granular form. As the aggregate state of GARDO TP 10 is liquid the study is not performed.

Vapour pressure

The vapour pressure of GARDO TP10451 at 25 °C was estimated to be 2.06 x 10E-11 mm Hg corresponding

to 2.75 x 10E-9 Pa (using the Modified Grain method, see attached calculation report of MPBPWIN).

Thus, based on the idealized structure of GARDO TP10451, the volatility is to be regarded as

extremely low or “negligible”.

Partition coefficient

The log Kow of GARDO TP10451 was calculated by the program KOWWIN, which is part of the program compilation EPI Suite. The idealized chemical structure of GARDO TP10451 was entered by SMILES (Simplified Molecular Input Line Entry System) notations. The resulting log Kow is 18.4314.

Based on its very low solubility and experiences that HPLC techniques are not applicable for GARDO TP10451, an experimental determination of log Kow of GARDO TP10451 by HPLC is not feasible.

The shake flask method is also not to be recommended as the water solubility of GARDO TP10451 is extremely low and therefore the analytical efforts would be out of scale.

Water solubility

The calculative highest solubility of GARDO TP10451 is 1.1734*10-6 mg/L at 25°C

(being equivalent to 1.1734 ng/L or 1*10-12 mol/L).

Referring to a university textbook, substances are poorly soluble if the solubility is < 0.1 mol/L.

The calculative solubility of GARDO TP10451 is factor 1011 lower than this bench mark.

Referring to scientific publication, substances are very poorly soluble if the solubility is < 0.01 mg/L at 20°C. The calculative solubility of GARDO TP10451 is factor 104 lower than this bench mark.

Thus, GARDO TP10451 is to be described as very poorly soluble or insoluble.

In conclusion, GARDO TP10451 is to be regarded as very poorly soluble or insoluble, based on the

values calculated by three different programmes of EPI Suite.

Surface tension

Study is not feasible because of the low solubility of GARDO TP 10451.

Flash point

The flash point of the reference substance Naphthalene was determined to be 81.9 °C, hardly deviating from the literature value (80°C). In case of the test item three parallel tests were carried out. The measured flash points of GARDO TP10451 were: 160.8 °C, 161.9 °C and 160.9 °C, resulting in a mean value of 161 °C.

Auto flammability

The purpose of the study was to evaluate the auto-ignition temperature of GARDO TP10451. Auto-ignition temperature was determined to be 280 °C.

Flammability

The chemical structure of GARDO TP10451 does not contain chemical groups, capable of causing the development of a dangerous amount of (flammable) gas (e.g. hydrogen), when in contact with damp air or water. Therefore test substance is not considered highly flammable (contact with water). Also from the structural formula of GARDO TP 10451 it can be concluded that it is not pyrophoric.

Explosiveness

Explosive properties can be expected based on a specific chemical group or on the bonding systems (as N-O, N=N, peroxide, etc.). Explosive properties are not expected, if an organic molecule does not contain oxygen, chlorine or fluorine, or if the molecule does contain oxygen, chlorine or fluorine, but these elements are chemically bonded to carbon or hydrogen, only. Neither phosphoric acid nor its esters are known to be explosive. In conclusion, considering the chemical structure of GARDO TP10451 and individual structural components, explosive properties are not expected for GARDO TP10451.

Oxidising properties

Compounds which have no highly electronegative atom, i.e. have no oxygen, fluorine, chlorine, bromine, are not likely to possess oxidising properties. Similarly, and this applies for GARDO TP10451, where these elements are present but the atoms are only bonded to carbon and/or hydrogen, then oxidising properties are unlikely. Phosphoric acid esters are not known to have oxidizing properties. In conclusion, considering the chemical structure of GARDO TP10451 and individual structural components, oxidizing properties are not expected for GARDO TP10451.