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EC number: 204-933-6 | CAS number: 129-16-8
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, test chemical was observed to be dark green crystals.
Melting point:
The melting point determination of test chemical was done following OECD Guideline 102 and according to the metal block capillary method. The test item does not show any changes in its state,inferring melting point greater than 400°C at 967.8 hPa.
Boiling Point:
The study does not need to be conducted because the substance is a solid which melts above 300°C. As,melting point of test chemical is determined to be greater than 400°C at 967.8 hPa.
Density:
The density of test chemical was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014. The mean pour density and tapped density of the test chemical was determined to be 1.2503 g/cm³ and 1.2503 g/cm³at 25.1°C and 968.8 hPa.
Particle size distribution:
The particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 micron to 53 micron.
Vapour pressure:
The study does not need to be conducted because the melting point is above 300°C. As, melting point of test chemical is determined to be greater than 400°C at 967.8 hPa.
Partition coefficient:
Based on the available data from study report,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. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with methanol up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 8.0. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Butanone, Acetophenone, Benzophenone, 4-Methoxyphenol, Phenol, Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, 2,6- Diphenylpyridin, Bromobenzene, 2,3 -Dichloroaniline, Triphenylamine, 4-Acetylpyridine, Acetanilide, 2-Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitril, Diphenylamine, Cinnamyl alcohol, Benzyl alcohol, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether, DDT having Pow value ranging from 0.3 to 6.5. The Log Pow value was determined to be 1.418 ± 0.169 at 25°C. Based on this value, it can be concluded that test chemical is hydrophilic in nature.
Water solubility:
The water solubility determination of test chemical was done as per the OECD guideline 105 and for spectrophotometric analytical method as per OECD 101. The solubility of test chemical in DI water was determined to be 2561 mg/L at 25°C indicating that it is soluble in water.
Surface tension:
The study does not need to be conducted because based on structure, surface activity is not expected or cannot be predicted. In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. Test chemical is used as a Medicine (antiseptic). For this use, surface activity is not an important property. Hence this study was considered for waiver
Flash point:
The study does not need to be conducted because flash point study is relevant to liquids and low melting solids. As test chemical is solid at room temperature having melting point greater than 400 degree C, hence this endpoint is considered as waiver.
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 it 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 it 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 for chemical safety assessment.
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.
pH :
The pH determination of test chemical was done following OECD guideline 122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 8.9 at 25.3 °C indicating that this chemical is basic in natute.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, test chemical was observed to be dark green crystals.
From the other reliable sources & authorative databases it is concluded that test chemical physically appears as solid substance having Iridescent green colour.
Melting point:
The melting point determination of test chemical was done following OECD Guideline 102 and according to the metal block capillary method. The test item does not show any changes in its state,inferring melting point greater than 400°C at 967.8 hPa.
Boiling Point:
The study does not need to be conducted because the substance is a solid which melts above 300°C. As,melting point of test chemical is determined to be greater than 400°C at 967.8 hPa.
Density:
The density of test chemical was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014. The mean pour density and tapped density of the test chemical was determined to be 1.2503 g/cm³ and 1.2503 g/cm³at 25.1°C and 968.8 hPa.
Particle size distribution:
The particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 micron to 53 micron.
Vapour pressure:
The study does not need to be conducted because the melting point is above 300°C. As, melting point of test chemical is determined to be greater than 400°C at 967.8 hPa.
Partition coefficient:
Based on the available data in a key study from study report, 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. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with methanol up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 8.0. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Butanone, Acetophenone, Benzophenone, 4-Methoxyphenol, Phenol, Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, 2,6- Diphenylpyridin, Bromobenzene, 2,3 -Dichloroaniline, Triphenylamine, 4-Acetylpyridine, Acetanilide, 2-Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitril, Diphenylamine, Cinnamyl alcohol, Benzyl alcohol, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether, DDT having Pow value ranging from 0.3 to 6.5. The Log Pow value was determined to be 1.418 ± 0.169 at 25°C.
Additional study from authoritative databases indicates that the octanol water partition coefficient (log Pow) value of the test chemical was estimated to be 1.41.
Thus, based on the available information, the logPow valueof the test chemical was determined to be 1.41. On the basis of this value, test chemicalcan be considered to be hydrophilic in nature.
Water solubility:
The water solubility determination of test chemical was done as per the OECD guideline 105 and for spectrophotometric analytical method as per OECD 101. The solubility of test chemical in DI water was determined to be 2561 mg/L at 25°C indicating that it is soluble in water.
Surface tension:
The study does not need to be conducted because based on structure, surface activity is not expected or cannot be predicted. In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. Test chemical is used as a Medicine (antiseptic). For this use, surface activity is not an important property. Hence this study was considered for waiver
Flash point:
The study does not need to be conducted because flash point study is relevant to liquids and low melting solids. As test chemical is solid at room temperature having melting point greater than 400 degree C, hence this endpoint is considered as waiver.
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 it 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 it 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 for chemical safety assessment.
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.
pH :
The pH determination of test chemical was done following OECD guideline 122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 8.9 at 25.3 °C indicating that this chemical is basic in natute.
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