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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Additional information

Appearence and physical state

The substance is an odorless, clear, colorless liquid.

Pour point

In a key study performed according to OECD Guideline 102 (Melting point / Melting Range), a sample of test material was poured into a test jar which was then enclosed in a glass jacket. The sample was heated to 46°C in a water bath set at 48°C before being allowed to cool in air to 35°C. The sample was transferred to a bath maintained at -1°C to 2°C and cooled to 10°C, then transferred to a bath maintained at -18°C to -15°C and then cooled to -7°C. The sample was transferred to dry ice/acetone bath maintained at -35 to -32°C. Starting at -9°C and at intervals of 3°C, the sample was tilted to a horizontal position for a period of 5 seconds, during which the sample was observed for signs of flow. The pour point of the test material has been determined to be 255 ± 3 °K (-18°C).

Boiling Point

In a key study performed according to OECD Guideline 103 (Boiling point/boiling range) using Differential Scanning Calorimetry (DSC), aliquots of test material (0.0145 g and 0.0078 g) were placed in aluminium crucibles. Samples were heated from 20°C at a rate of 20°C per min to a final temperature of 400°C. An indium reference sample was used to assess temperature accuracy. The boiling point has been determined to be from 342°C at 100.3 to 101.2 kPa.

Density

The density of the test material has been determined to be 0.9 g/mL at 15.6°C.

Vapour Pressure

In a key study performed in accordance with EU Method A.4 and OECD Guideline 104 using a vapour pressure balance, the vapour pressure of the test material has been determined to be 4.3E-09 Pa at 25°C. The test material is not volatile.

Partition Coefficient (Octanol-Water)

In a key study performed in accordance with OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method), the test material (0.1057 g) was diluted to 100 mL with tetrahydrofuran. Dead time was determined by measuring the retention time of thiourea (purity* > 99%) at 204 mg/L solution in methanol:water (85:15 v/v). Reference standards prepared in methanol.

Testing was carried out at approximately neutral pH. The results indicated that the test material has a log10 Pow > 9.4 and a partition coefficent > 2.5 E9.

Water solubility

A key study was performed in accordance with OECD Guideline 105 (water solubility). In the preliminary test, a sample size of 0.11g of test item was diluted to 1000 mL with purified water. After shaking at 30°C for 69 hours and standing at 20°C for 6 hours, the contents of the flask were passed through a 0.2 um nylon filter and was then analyzed. The pH of the solution was also measured. In the definitive test, three mixtures/samples were prepared using purified water in three separate flasks. After preparation, each flask was shaken at around 30°C for 24, 48, and 72 hours. Then the flasks were allowed to stand at 20°C for 24 hours. The contents of each flask were filtered through 0.2 um nylon filter and the pH of each solution was measured. HPLC was used to determine the concentration of the test substance in each of the sample solutions. After the equilibration period, all samples were clear, colorless solutions with excess, undissolved test item present. Upon filtration, all samples were visibly clear, colorless solutions that did not contain any undissolved test item. The water solubility of the test item was determined to be less than or equal to 0.085 mg/L.

Surface tension

In accordance with the REACH Annex VII Column 2 adaptation for this endpoint a surface tension study does not have to be performed where the water solubility of the test material is below 1 mg/L at 20°C.

Flammability (Flash Point)

The flammability of the liquid test material was determined in accordance EU Method A.9 (Flash-Point). An aliquot (2 or 4 mL depending on tester) of the test material was transferred to the sample cup of the Setaflash 30000 -0 tester. The sample was heated and allowed to equilibrate at the set temperature. The test flame was introduced into the sample cup for approximately 2.5 seconds by sliding the cup shutter open. Observations were made for ignition of the valour. If no ignition occurred, the temperature was increased and the test flame re-introduced. This was repeated until the lowest reproducible temperature at which a flash occurred, using a fresh sample, was determined. The flash point of the test material has been determined to be 200±2°C. In accordance with CLP Regulation (EC) No 127/2008 the test material is not classified as flammable

Auto-ignition temperature

In a key study according to EU Method A.15 (Auto-Ignition Temperature (Liquids and Gases)), the test material was injected into a heated test flask and the flask observed for signs of ignition over a 300 second period. This procedure was repeated, varying sample size as necessary until the lowest temperature at which ignition, if any, occurred within the 300 seconds of insertion, was determined. The test material has been determined to have an auto-ignition temperature of 398 ± 5°C. In accordance with CLP Regulation (EC) No 127/2008, the test material is not considered to be self-heating.

Explosive Properties

In accordance with column 2 of REACh Annex VII, the study does not need to be conducted if there are no chemical groups associated with explosive properties present in the molecule.

Moreover, according to CLP and UN criteria, no structural group associated with self-reactive properties is present, therefore subsequent classification shall not apply either.

Oxidising Properties

The oxidizing properties of the test substance were screened based on the Bretherick's Handbook of Reactive Chemical Hazards, 7th Edition, Academic Press 2007. According to the criteria as described in the above mentioned handbook, the structure of the test item was assessed for chemical groups that are associated with oxidizing properties such as, nitrates, metal oxides, hypofluorites, difluoroaminopolynitroaryls, perchlorates, bromates and iodites. There were no structural alerts within the chemical structure of the test item and therefore, the oxidizing properties of the test item is predicted to be negative.

Dissociation Constant

In accordance with section 1 of REACH Annex XI, the dissociation constant study does not need to be performed as the substance is not soluble in water.