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EC number: 229-851-8 | CAS number: 6786-83-0
Endpoint summary
Administrative data
Description of key information
Appearance:
On basis of visual perceptual property, the test chemical was observed to be organic substance with blackish powder in appearance.
Melting point:
The melting point determination of test substance was done as per the test guideline OECD Guideline 102 (Melting point / Melting Range). The method followed was according to Capillary/metal block. The melting point of test chemical was observed to be 208°C at 977.8 hpa.
Boiling point:
The boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was observed to be greater than 240 °C at 982.6 hPa.
Density:
Principle of this study was to determine the bulk density of test chemical by using buoyancy method. Bulk density of test chemical was determined to be 0.877g/cm3 at room temperature of 23 °C.
Particle size distribution (Granulometry):
The particle size distribution of test substance was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 75 micron.
Vapour pressure:
Vapour pressure of test chemical was estimated to be 2.67E-015 Pa at 25°C by Modified Grain method.
Partition coefficient:
The Log Pow value was determined using Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 and was determined to be 7.114±0.001at 25°C.
Water solubility:
The water solubility determination of test chemical was done as per the OECD 105. The solubility of the test chemical in water was determined to be 0.006 mg/l at 25 ° which indicates that the test chemical was insoluble in water.
Surface tension:
In accordance with Column 2 of Annex VII of the REACH regulation, which mentions that the study need not to be conducted if surface activity is not a desired property of the material and also if water solubility of the substance is less than 1 mg/L.
As surface activity is not a desired property of test chemical and also its water solubility is less than 1 mg/L, hence this endpoint is considered as waiver.
Flash point:
The study does 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 23 °C and atmospheric pressure of 955 hPa. This indicates that test was not auto-flammable.
Flammability:
Test chemical does not indicate any ignition when the flame of bunsen burner temperature of having approximately 950°C is brought in contact with it. Thus, it can be concluded that test chemical was not flammable at high temperature. However, since such high temperatures are not found under normal circumstances of transportation and use, thus test chemical was considered to be non-flammable.
Explosiveness:
The study does not need to be conducted because there are no chemical group present in the molecule which are associated with explosive properties.
Oxidising properties:
Test chemical was not determined to be oxidising since 615 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.
pH:
The pH determination of test substance was done as per the test guideline OECD 122. The pH of the test solution was determined with the help of pH meter. pH of 1% w/v aqueous solution of the test chemical was observed to be 7.5 at 25°C indicating that the test chemical was slightly basic in nature.
Additional information
Appearance:
Summarized results of the observation of physical state of test chemical. All the studies are as mention below:
On basis of visual perceptual property, the test chemical was observed to be organic substance with blackish powder in appearance.
Based on the data obtained from the reliable source, the test chemical was observed to be solid blue in appearance with characteristic odour.
Melting point:
The melting point determination of test substance was done as per the test guideline OECD Guideline 102 (Melting point / Melting Range). The method followed was according to Capillary/metal block. The melting point of test chemical was observed to be 208°C at 977.8 hpa.
Boiling point:
The boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was observed to be greater than 240 °C at 982.6 hPa.
Density:
Principle of this study was to determine the bulk density of test chemical by using buoyancy method. Bulk density of test chemical was determined to be 0.877g/cm3 at room temperature of 23 °C.
Particle size distribution (Granulometry):
The particle size distribution of test substance was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 75 micron.
Vapour pressure:
Vapour pressure of test chemical was estimated to be 2.67E-015 Pa at 25°C by Modified Grain method.
Partition coefficient:
The Partition Coefficient n-octanol/water (Pow) of test chemicalwas determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.
The analysis was performed at constant recommended conditions such as temperature 25°C (Acetonitrile: Water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Structurally similar reference substances were selected by usingQSAR toolbox (version 3.3). Selectedreference substances were prepared in acetonitrile with a concentration of 400 mg/L and test chemical was prepared in Tetrahydrofuran and Acetonitrile (1:1 ratio). Both were analyzed on HPLC considering the similar conditions.
After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Powvalue.
The reference substances wereBenzene, Toluene, Naphthalene, Ethyl benzene, Biphenyl, Butylbenzene, Triphenylamine and DDThaving Powvalue ranging from3.2to6.6.
TheLog Powvalue was determined to be7.114±0.001at 25°C.This concludes that the test chemical is hydrophobic in nature .
Water solubility:
The study was conducted to determine the solubility of test chemical in ultra-pure water, according to the OECD guideline 105 (Adopted by the Council on 27th July 1995) and OECD 101(Adopted: 12 May 1981). Test was conducted at 25±2 °C in two stages; preliminary test for 96 h, followed by confirmatory test for 24 h, 48 h and 72 h in replicates. The final water solubility value was calculated based on average of the individual values obtained after 24 h, 48 h and 72 h. The difference between the average values in three vessels was not observed more than 15%. The water solubility value was observed to be 0.006 mg/L at 25±2 °C.
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Surface tension:
In accordance with Column 2 of Annex VII of the REACH regulation, which mentions that the study need not to be conducted if surface activity is not a desired property of the material and also if water solubility of the substance is less than 1 mg/L.
As surface activity is not a desired property of test chemical and also its water solubility is less than 1 mg/L, hence this endpoint is considered as waiver.
Flash point:
The study does 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 23 °C and atmospheric pressure of 955 hPa. This indicates that test was not auto-flammable.
Flammability:
Test chemical does not indicate any ignition when the flame of bunsen burner temperature of having approximately 950°C is brought in contact with it. Thus, it can be concluded that test chemical was not flammable at high temperature. However, since such high temperatures are not found under normal circumstances of transportation and use, thus test chemical was considered to be non-flammable.
Explosiveness:
The study does not need to be conducted because there are no chemical group present in the molecule which are associated with explosive properties.
Oxidising properties:
Test chemical was not determined to be oxidising since 615 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.
pH:
The pH determination of test substance was done as per the test guideline OECD 122. The pH of the test solution was determined with the help of pH meter. pH of 1% w/v aqueous solution of the test chemical was observed to be 7.5 at 25°C indicating that the test chemical was slightly basic in nature.
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