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EC number: 203-998-8 | CAS number: 112-70-9
Endpoint summary
Administrative data
Description of key information
Appearance
Based on the data available data from handbook, test chemical physically appears as a organic white solid with pleasant odour.
Melting point
The melting point determination of Test chemical was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean melting temperature range was determine to be 32°C at 976.9 hPa.
Boiling Point
Based on available data from study report , experimental boiling temperature of test substance was determined by method of OECD guideline no 103, the boiling ppoint is determined to be 233.3°C at 975.9 hPa
Density
The density of Test item was determined following OECD guideline 109 and according to OECD guideline 109 and according to the method adapted from ASTM D 854-02. The mean density of the test item was determine to be 0.82 g/cm³ at 20°C and 967.5 hPa.
Particle size distribution
The test chemical is low melting solid and waxy in nature,thus particle size distribution is not possible.
Vapour pressure
On the basis of data from handbook, vapour pressure of test chemical was determine to be 0.0099 kPa at temperature 101°C & 101.324 kPa at temperature 280.45° C.
Partition coefficient
Based on the data from authoritative database, the partition coefficient (log Pow) value of the test chemical was determined to be 5.82. Based on the experimental value, test chemical was considered to be hydrophobic in nature.
Water solubility
The water solubility determination of test chemicals was done as per the OECD guideline 105. The solubility of test substance in water was determine to be 131.86 mg/L at 25°C.
Surface tension
The study does not need to be conducted because surface activity is not a desired property of the material.
Flash point
The flash point determination of test substance was done as per the test guideline OECD 103. On basis of study report, the experimental flash point value of test substance was determined to be 87.6 °C at 978.4 hPa.
Auto flammability
Based on the data from authoritative databases, the auto flammability of test chemical was determined to be 260°C.
Flammability
Flash point of test substance was determined to be 121.11°C by Cleveland open cup method. On the basis of CLP classification criteria, test chemical has flash point >60°C hence the test chemical was considered to be non-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.
Stability in organic solvents and identity of relevant degradation products
The study does not need to be conducted because the stability of the substance is not considered to be critical.
Dissociation constant
The study does not need to be conducted because the substance has no ionic structure.
Viscosity
The study does not need to be conducted because the substance is a solid.
pH
The pH determination of test item was done as per the test guideline OECD 122. The mean pH of the test dispersion was determined with the help of digital pH meter. The mean pH was determine to be 4.8 at 24.9 °C.
Additional information
Appearance
On the basis of physical observation and using the sense of smell, test chemicalwas observed to be a White organic powder.
Based on the data available data from handbook, test chemical physically appears as a organic white solid with pleasant odour.
From authoritative database, test chemical appears as organic white solid with aromatic odour.
In a supporting study from reliable sources, test chemical appears to be organic crystalline solid.
Melting point
The melting point determination of Test chemical was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean melting temperature range was determine to be 32°C at 976.9 hPa.
On the basis of data from handbook, melting point value of test chemical was determined to be 31°C.
In a supporting study, the melting point value for test chemical was reported to be 32.5–33.5°C.
Additional study from authoritative database indicates the melting point of test chemical as 32°C.
From reliable sources, melting point value for test chemical was determined to be 32°C.
Boiling Point
Based on available data from study report , experimental boiling temperature of test substance was determined by method of OECD guideline no 103, the boiling ppoint is determined to be 233.3°C at 975.9 hPa
Based on the data available data from handbook & authoritative database, the boiling point of the test chemical was determined to be 274°C
On the basis of data from authoritative database, the boiling point of the test chemical was determined to be 274-280°C.
From reliable handbook, boiling point of the test chemical was determined to be in the range of 155–156°C at 15 mmHg.
Additional study from reliable sources indicates the boiling point of test chemical as 152°C at pressure 14 mmHg.
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Density
The density of Test item was determined following OECD guideline 109 and according to OECD guideline 109 and according to the method adapted from ASTM D 854-02. The mean density of the test item was determine to be 0.82 g/cm³ at 20°C and 967.5 hPa.
On the basis of data from handbook and authoritative database, density of the test chemical was determined to be 0.845 g/cm3 at temperature 20°C.
In a supporting study from various reliable sources, density of the test chemical was determined to be 0.82 g/cm3 at temperature 20°C.
Particle size distribution
The test chemical is low melting solid and waxy in nature,thus particle size distribution is not possible.
Vapour pressure
On the basis of data from handbook, vapour pressure of test chemical was determine to be 0.0099 kPa at temperature 101°C & 101.324 kPa at temperature 280.45° C.
Partition coefficient
The partition Coefficient n-octanol/water of test chmeical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared..The Log Pow value was determined to be 4.25 dimensionless at 25°C.
Based on the data from authoritative database, the partition coefficient (log Pow) value of the test chemical was determined to be 5.82.
In a supporting study from reliable sources, the partition coefficient (log Pow) value of the test chemical was determined to be 5.51.
From handbook, authoritative and modeling databases, the partition coefficient (log Pow) value of the substance was estimated to be 5.26.
In an additional study, a general linear solvation energy (LSER) equation has been used for calculating the partition coefficient in the system water-octanol of the test chemical. The descriptors used in the equation wereR2,an excess molar refraction;Π2H,the solute Dipolarity/polarizability;the effective solute hydrogen bond acidity and basicity; and Vx the characteristic volume of McGowan, respectively.
On the basis of available information, test chemical was considered to be hydrophobic in nature.
Water solubility
The study was conducted to determine the solubility of test chemical in ultra pure water according to OECD guideline 105. Test was conducted at 25+_2deg C in two stages, preliminary test for 24hrs followed by confirmatory test for 24hrs, 48hrs and 72 hrs in replicates. The final water solubility value was calculated based on average of individual values obtained at 24hrs, 48hrs and 72 hrs. The difference between the average values in three vessels was not observed more than 15%. The water solubility value was determined to be 131.86 mg/L at 25+_2deg C.
Based on the water solubility value determined by OECD 105 test guideline, it is confirmed that the substance is moderately soluble in water.
Based on the data from reliable sources, water solubility value for the test chemical was determined to be 100 mg/L at 20°C, indicating that test substance is moderately soluble in water.
Surface tension
The study does not need to be conducted because surface activity is not a desired property of the material.
Flash point
The flash point determination of test substance was done as per the test guideline OECD 103. On basis of study report, the experimental flash point value of test substance was determined to be 87.6 °C at 978.4 hPa.
On the basis of data from handbook & authoritative database, flash point of the test chemical was determined to be 121.11°C by Cleveland open cup method.
In a supporting study from authoritative database, flash point of the test chemical was determined to be > 120°C by Closed Cup method.
Thus, on the basis of criteria mentioned in CLP regulation, the chemical has flash point > 60°C hence the substance was considered to be not flammable.
Auto flammability
Based on the data from authoritative databases, the auto flammability of test chemical was determined to be 260°C.
Flammability
Flash point of test substance was determined to be 121.11°C by Cleveland open cup method. On the basis of CLP classification criteria, test chemical has flash point >60°C hence the test chemical was considered to be non-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.
Stability in organic solvents and identity of relevant degradation products
The study does not need to be conducted because the stability of the substance is not considered to be critical.
Dissociation constant
The study does not need to be conducted because the substance has no ionic structure.
Viscosity
The study does not need to be conducted because the substance is a solid.
pH
The pH determination of test item was done as per the test guideline OECD 122. The mean pH of the test dispersion was determined with the help of digital pH meter. The mean pH was determine to be 4.8 at 24.9 °C.
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