Monopentaerythritol tetraesters and dipentaerythritol hexaesters of 3,5,5-trimethylhexanoic, n-heptanoic, n-octanoic and n-decanoic acids

Endpoint summary

Description of key information

There is no specific data on the substance. Read-across to the physico-chemical properties ofHexanoic acid, 3,5,5-trimethyl-, 1,1'-[2-ethyl-2-[[(3,5,5-trimethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl] ester (EC 613-848-7, CAS65870-94-2),Fatty acid polyols (Fatty acids, C5-9, esters with pentaerythritol (EC 270-290-3, CAS 68424-30-6) and Decanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol octanoate (EC 234-392-1, CAS 11138-60-6)) and their analogues is applicable based on the similarity in structure and physico-chemical properties. The justification for read-across is presented in Section 13 Assessment reports- Read-across justification.

Appearance

The analogue substance is a clear, colourless liquid with no reported odour

Melting point

The pour point of the analogue substance is predicted to be < -48°C (ASTM D97)..

Boiling point

The analogue test item did not boil up to 400 °C (673 K) at 101.5 kPa by differential scanning calorimetry (OECD 103 and EU Method A.2).

Density

The specific gravity of the analogue test substance, determined by procedures given in ASTM D4052, is 0.9049 at 15.6 deg. C

Vapour pressure

The vapour pressure of the analogue test item has been determined to be 3.2E-06 Pa at 25 °C (OECD 104 and EU Method A.4).

Granulometry

The analogue substance is a liquid and as such marketed in a non granular form.

Partition coefficient (Log Pow)

The partition coefficient of the analogue test item has been determined to be >2.51 E+09, log10 Pow > 9.4 (OECD 117 and EU Method A.8).

Water solubility

The water solubility of the analogue test item has been determined to be less than or equal to 2.04 x 10-3 g/L of solution at 20.0 ± 0.5 °C (OECD 105 and EU Method A.6).

Surface tension

In accordance with column 2 of EC 1907/2006 Annex VII the surface tension of the analogue substance does not need to be tested due to its chemical structure, no surface activity is predicted.

Flash point/Flammability

The flash point of the analogue test item has been determined to be 224 ± 2 °C using the closed cup equilibrium method at 101.7 kPa (EU Method A.9).

Autoflammability

The analogue test item has been determined to have an auto-ignition temperature of 408 ± 5 °C (EU Method A.15).

Explosiveness

In accordance with column 2 of EC 1907/2006 Annex VII, the explosiveness of the analogue substance does not need to be tested, because there are no chemical groups associated with explosive properties in the molecule.

Oxidising properties

In accordance with column 2 of EC 1907/2006 Annex VII, the oxidising properties of the analogue substance do not need to be tested, because the substance is incapable of reacting exothermically with combustible materials on the basis of the chemical structure. There are no oxidizing groups in this substance (no halogen atoms present in the molecule, oxygen atoms are not bonded to halogen or nitrogen atoms).

Stability in organic solvents

In accordance with column 1 of EC 1907/2006 Annex IX, the test does not need to be conducted because the stability of the analogue substance is not considered as critical.

Thermal stability

The analogue test item was stable up to 400 °C (673 K) at 101.5 kPa by differential scanning calorimetry (OECD 103 and EU Method A.2),

Dissociation constant

In accordance with section 1 of EC 1907/2006 Annex XI, the dissociation constant study does not need to be performed as calculations with SPARC online calculator have shown that there is no dissociation of the analogue substance in the range between pH -0.2 and 14.

Viscosity

The mean viscosity values obtained for the analogue substance were 7.16 cSt at 100 °C and 52.2 cSt at at 40 °C (ASTM D445-97).