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Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance

On the basis of available data from study report, the appearance of test chemical was observed to be a black powder.

 

Melting point

Based on the available data from study report,the melting point of test chemical was determined. The study was performed in accordance with the OECD Guideline 102 (Melting point / Melting Range). The method followed was according to Capillary/metal block. The test was conducted in replicates and mean melting point was determined to be in the range between 197.8 to 204°C at 96400 Pa.

 

Boiling Point

On the basis of available data from study report,the boiling point of test chemical was determined. The study was performed in accordance with the OECD Guideline 103 (Boiling Point). The method followed was according to Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be > 300°C at 96430 Pa.

 

Density

Based on the available data from study report,the density of test chemical was determined following OECD Guideline 109 (Density of Liquids and Solids) and according to the method adapted from ASTM D 854-02 using glass pyknometer. The mean density of the test chemical was determined to be 1.3696 g/cm³ at 20°C and 965.3 hPa.

 

Particle size distribution

On the basis of the available data from study report, the particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 10 micron.

 

Vapour pressure

Based on the available data from modelling database,Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test substance using MPBPVP v1.43 of EPI Suite. The estimated vapour pressure of the test substance at 25 deg C was 3.28E-013 Pa (2.46E-015 mm Hg).

 

Partition coefficient

Based on the available data from study report, the partition coefficient n-octanol/water of test chemical at 25 °C was determined following the OECD Guideline 117 (Partition Coefficient (n-octanol / water) using the reverse phase-high performance liquid chromatography (RP-HPLC) method. The sample of test chemical was prepared by dissolving 4 mg in acetonitrile to prepare 400 mg/l and pH of the resulting solution was evaluated to be 6.6. The analysis was performed at recommended conditions of temperature 25°C (solvent: water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Selected reference substances were also prepared in acetonitrile with concentration of 400 mg/L. All samples were analysed using HPLC. After analyzing on test conditions, calibration curve of selected reference substances was prepared to obtain logKow value. Reference substance chosen for the study were Acetophenone , Benzene , Benzophenone , Ethylbenzene, Phenol , Thymol , Toluene having a Pow ranging from 1.5 to 3.4. The partition coefficient (Log Pow) value of test chemical was determined to be 3.151±0.002 at 25°C.

 

Water solubility

On the basis of the available data from study report, the water solubility determination of test chemical was done as per the OECD Guideline 105 (Water Solubility) and by spectrophotometric analytical method as per OECD 101. Study was conducted at 25±2°C in two stages; first preliminary test was done for 96 hrs followed by the confirmatory test for 24, 48 and 72 hr. All experiments were performed in replicates. The final water solubility value was calculated on the basis of average of the individual values obtained after 24 h, 48 h and 72 h. The solubility of test chemical in water was determined to be 0.21 mg/L at 25°C. On the basis of this value, test chemical was considered to be slightly soluble in water.

 

Surface tension

The study does not need to be conducted because water solubility is below 1 mg/l at20°C.

 

Flash point

The studydoes not need to be conducted because the flash point is only relevant to liquids and low melting point solids.

 

Auto flammability

Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that test chemical is not auto-flammable.

 

Flammability

Test chemical does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that test chemical is not flammable.

 

Explosiveness

The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties.

 

Oxidizing properties

The study does not need to be conducted because the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied.

 

pH

On the basis of the available data from study report,the pH of test chemical was determined. The study was performed in accordance with OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The mean pH of the 1% w/v test dispersion was determined with the help of digital pH meter. The mean pH was determined to be 6.54 at 22.1°C. Thus, test chemical is considered to be acidic in nature.

Additional information

Appearance

On the basis of available data from study report, the appearance of test chemical was observed to be a black powder.

 

Melting point

Based on the available data from study report,the melting point of test chemical was determined. The study was performed in accordance with the OECD Guideline 102 (Melting point / Melting Range). The method followed was according to Capillary/metal block. The test was conducted in replicates and mean melting point was determined to be in the range between 197.8 to 204°C at 96400 Pa.

 

Boiling Point

On the basis of available data from study report,the boiling point of test chemical was determined. The study was performed in accordance with the OECD Guideline 103 (Boiling Point). The method followed was according to Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be > 300°C at 96430 Pa.

 

Density

Based on the available data from study report,the density of test chemical was determined following OECD Guideline 109 (Density of Liquids and Solids) and according to the method adapted from ASTM D 854-02 using glass pyknometer. The mean density of the test chemical was determined to be 1.3696 g/cm³ at 20°C and 965.3 hPa.

In a supporting study fromauthoritative databases,the density of test chemical was estimated to be 1.451 ± 0.06 g/cm3 at 20 °C and 760 mmHg.

 

Particle size distribution

On the basis of the available data from study report, the particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 10 micron.

 

Vapour pressure

Based on the available data from modelling database,Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test substance using MPBPVP v1.43 of EPI Suite. The estimated vapour pressure of the test substance at 25 deg C was 3.28E-013 Pa (2.46E-015 mm Hg).

 

Partition coefficient

Based on the available data from study report, the partition coefficient n-octanol/water of test chemical at 25 °C was determined following the OECD Guideline 117 (Partition Coefficient (n-octanol / water) using the reverse phase-high performance liquid chromatography (RP-HPLC) method. The sample of test chemical was prepared by dissolving 4 mg in acetonitrile to prepare 400 mg/l and pH of the resulting solution was evaluated to be 6.6. The analysis was performed at recommended conditions of temperature 25°C (solvent: water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Selected reference substances were also prepared in acetonitrile with concentration of 400 mg/L. All samples were analysed using HPLC. After analyzing on test conditions, calibration curve of selected reference substances was prepared to obtain logKow value. Reference substance chosen for the study were Acetophenone , Benzene , Benzophenone , Ethylbenzene, Phenol , Thymol , Toluene having a Pow ranging from 1.5 to 3.4. The partition coefficient (Log Pow) value of test chemical was determined to be 3.151±0.002 at 25°C.

 

Water solubility

On the basis of the available data from study report, the water solubility determination of test chemical was done as per the OECD Guideline 105 (Water Solubility) and by spectrophotometric analytical method as per OECD 101. Study was conducted at 25±2°C in two stages; first preliminary test was done for 96 hrs followed by the confirmatory test for 24, 48 and 72 hr. All experiments were performed in replicates. The final water solubility value was calculated on the basis of average of the individual values obtained after 24 h, 48 h and 72 h. The solubility of test chemical in water was determined to be 0.21 mg/L at 25°C. On the basis of this value, test chemical was considered to be slightly soluble in water.

 

Surface tension

The study does not need to be conducted because water solubility is below 1 mg/l at20°C.

 

Flash point

The studydoes not need to be conducted because the flash point is only relevant to liquids and low melting point solids.

 

Auto flammability

Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that test chemical is not auto-flammable.

 

Flammability

Test chemical does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that test chemical is not flammable.

 

Explosiveness

The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties.

 

Oxidizing properties

The study does not need to be conducted because the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied.

 

pH

On the basis of the available data from study report,the pH of test chemical was determined. The study was performed in accordance with OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The mean pH of the 1% w/v test dispersion was determined with the help of digital pH meter. The mean pH was determined to be 6.54 at 22.1°C. Thus, test chemical is considered to be acidic in nature.