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EC number: 210-568-3 | CAS number: 618-88-2
Endpoint summary
Administrative data
Description of key information
Appearance:
The test chemical was observed to be organic solid in the form of white colored crystals.
Melting point:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of test chemical was predicted.
The melting point of chemical was estimated to be 236 ˚C
Boiling Point:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of test chemical was predicted.The boiling point of chemical was estimated to be 407°C .
Density:
The density of test chemical as determined following OECD Guideline 109 and according to the Adapted from ASTM D 854 -02 using glass pyknometer. The density of the test chemical was determined to be 1.465 g/cm3at 20°C and 978.4 hPa.
Particle size distribution:
The particle size distribution of test item was determined by granulometric analysis with Rotap sieve shaker. The particle size distribution was determine to be in the range of 150 µ to 53 µ.
Vapour pressure:
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test chemical using MPBPVP v1.43 of EPI SUITE.The vapour pressure of the test chemical at 25° C was estimated to be 1.82E-007 mm Hg.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.
The Log Pow value of the test chemical was determined to be 1.100 ± 0.028 dimensionless at 25°C. On the basis of this value, test chemical can be considered to be hydrophilic in nature.
Water solubility:
The water solubility determination of test chemical was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determine to be 1400 mg/L at 25°C. Thus test chemical is considered to be soluble in water.
Surface tension:
The study does not need to be conducted because surface activity is not desired property of the material
Flash point:
The flash point determination of test chemical was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determine to be 189.6°C at 979.0hPa.
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 at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus test chemical was considered non-flammable.
Explosiveness:
The study does not need to be conducted because the substance contains chemical groups associated with explosive properties which include oxygen, but the calculated oxygen balance is less than - 200.
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.
Additional information
Appearance:
Based on experimental study report the test chemical was observed to be organic solid in the form of white colored crystals.
To support the above study data from authoritative database indicates that test chemical is crystalline solid.
Melting point:
Based on the prediction done using the EPI Suite MPVPBP V1.43,the melting point of test chemical was predicted.
The melting point of chemical was estimated to be 236 ˚C
To support t the above study another study Based on the authoritative database the Melting point of test chemical was observed to be 259°C.
Further, Melting point value for test chemical was determined to be 250°C.
From comptox the Melting point of test chemical was predicted using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model based on PaDEL descriptors and from NICEATM models. The Melting point of chemical was estimated to be 226°C.
Boiling Point:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of test chemical was predicted.
The boiling point of chemical was estimated to be 407°C
From another study the Boiling point of test chemical was determined to be 473.7±40.0 °C at 760 mmHg
Further, from comptox the Boiling point of test chemical was predicted using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model based on PaDEL descriptors and from NICEATM models. The Boiling point of chemical was estimated to be 318°C.
Density:
The density of test chemical as determined following OECD Guideline 109 and according to the Adapted from ASTM D 854 -02 using glass pyknometer. The density of the test chemical was determined to be 1.465 g/cm3at 20°C and 978.4 hPa.
To support above study another study was reviewed in this Density value of test chemical was determined to be 1.7±0.1 g/cm3.
Particle size distribution:
The particle size distribution of test item was determined by granulometric analysis with Rotap sieve shaker. The particle size distribution was determine to be in the range of 150 µ to 53 µ.
Vapour pressure:
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test chemical using MPBPVP v1.43 of EPI SUITE. The vapour pressure of the test chemical at 25° C was estimated to be 1.82E-007 mm Hg.
Further, from comptox the vapour pressure of the test chemical was estimated using OPERA V1.02.
The vapour pressure of the test chemical was estimated to be 1.15E-7 mmHg.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.
The Log Pow value of the test chemical was determined to be 1.100 ± 0.028 dimensionless at 25°C.
To support above experimental study the KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test chemical.
The octanol water partition coefficient logPOW of the test chemical was estimated to be 1.5735 dimensionless. From comptox database the octanol- water partition coefficient of the test chemical was estimated using OPERA V1.02.The octanol water partition coefficient logPOW of the test chemical was estimated to be 1.13 dimensionless.
Further, from authoritative database the The octanes water partition coefficient logPOW of the test chemical was estimated to be 1.79 dimensionless.
On the basis of this value, test chemical can be considered to be hydrophilic in nature.
Water solubility:
The water solubility determination of test chemical was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determine to be 1400 mg/L at 25°C. Thus test chemical is considered to be soluble in water.
To support above experimental study the WSKOW v1.42 was used to estimate the water solubility of the test chemical.
The water solubility of test chemical was estimated to be 707.5 mg/l at 25 °C. Based on the estimated value, the test substance was in soluble water.
Surface tension:
The study does not need to be conducted because surface activity is not desired property of the material
Flash point:
The flash point determination of test chemicalwas done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determine to be 189.6°C at 979.0hPa.
From the other authoritative databases Flash point value of test chemical was estimated to be 213.9±15.8 °C.
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 at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus test chemical was considered non-flammable.
Explosiveness:
The study does not need to be conducted because the substance contains chemical groups associated with explosive properties which include oxygen, but the calculated oxygen balance is less than - 200.
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.
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