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EC number: 203-213-9 | CAS number: 104-55-2
Endpoint summary
Administrative data
Description of key information
Appearance
On the basis of physical observation, the appearance of test chemical was observed to be a clear colourless liquid.
Freezing point
Based on the available data from study report, thefreezing point of test chemical was determined. The method followed was referred to as freezing point depression. The freezing point was determined to be -18°C at 96990 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 mean boiling point was determined to be > 250°C at 96990 Pa.
Density
On the basis of available data from study report,the density of test chemical was determined following OECD Guideline 109 using pyknometer. The mean density of test chemical was determined to be 1.0414 g/cm³ at 20°C and 967.5 hPa.
Particle size distribution
The study does not need to be conducted because the substance is marketed or used in a non-solid or granular form.
Vapour pressure
Based on the available data from handbooks and authoritative database, the vapour pressure of test chemical was determined to be 3.853 Pa (0.0289 mmHg) at 25°C.
Partition coefficient
On the basis of 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. The reference substances were chosen according to structural similarity with the test substance. The reference substances were 4 Acetyl Pyridine, Cinnamyl alcohol, Toluene, Naphthalene, Biphenyl, n – Butyl alcohol having Pow value ranging from 0.5 to 4.6. The log Pow value was determined to be 2.1065±0.0017at 25°C. By considering this log Pow value it can be concluded that test chemical is hydrophilic in nature.
Water solubility
Based on the available data from study report,the water solubility determination of test chemical was done as per the OECD guideline 105 (Water solubility) by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 2865 mg/L at 25°C. On the basis of this value, test chemical was considered to be soluble in water.
Solubility in organic solvents / fat solubility
Based on the available data from study report, the solubility determination of test chemical in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The test was conducted to determine the solubility range for which 0.1 ml of substance was dissolved in different solvents like acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test chemical in various solvents was determined to be >1000 mg/L at 31.2 °C.
Surface tension
On the basis of available data from authoritative database,the surface tension of test chemical was estimated to be 39 mN/m at 25°C.
Flash point
Based on the available data from study report,the flash point of test chemical was determined. The study was performed following the closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test chemical was determined to be 105°C at 96830 Pa. 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
Test chemical did not catch fire on being exposed to air at room temperature of 27°C and pressure of 966 hPa. This indicates that the test chemical is not auto-flammable.
Flammability
Flash point of test substance was determined to be 105°C at 96830 Pa. On the basis of GHS 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 the 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
Based on the available data from study report,test chemical was reported to be stable in different organic solvents and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.
pH
Based on the available data from study report,the pH of test chemical was determined. Study was performed as per the test guideline OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The mean pH of the test dispersion was determined with the help of digital pH meter. The mean pH was determine to be 4.23 at 25.2°C. Thus, test chemical was considered to be acidic in nature.
Dissociation constant
The study does not need to be conducted because the substance has no ionic structure.
Viscosity
On the basis of the available data from study report, the viscosity determination of test chemical was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of test chemical at 20°C and 40°C was determined to be 21.25 mm²/sec & 17.29 mm²/s and Dynamic viscosity of the test chemical was calculated to be 22.12 mPa.S & 18.00 mPa.S at 20°C and 40°C, respectively.
Additional information
Appearance
On the basis of physical observation, the appearance of test chemical was observed to be a clear colourless liquid.
In a supporting study from handbook and authoritative database, the appearance of test chemical was observed to be a yellowish oily liquid with strong odour of cinnamon.
Freezing point
Based on the available data from study report, thefreezing point of test chemical was determined. The method followed was referred to as freezing point depression. The freezing point was determined to be -18°C at 96990 Pa.
In a supporting study fromhandbook and authoritative database, the freezing point of test chemical was determined to be -7.5°C.
Additional study from handbook indicates the freezing point of test chemical as -8°C at 101300 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 mean boiling point was determined to be > 250°C at 96990 Pa.
In a supporting study fromhandbooks,the boiling point of test chemical was determined to be 246.0°C at 101325 Pa (760 mmHg).
Additional study from authoritative database indicates the boiling point of test chemical as 226.69°C estimated by adapted Stein and Brown method.
Density
On the basis of available data from study report, the density of test chemical was determined following OECD Guideline 109 using pyknometer. The mean density of test chemical was determined to be 1.0414 g/cm³ at 20°C and 967.5 hPa.
Additional study from handbooks and authoritative database indicates the density of test chemical was determined to be in the range of 1.048 to 1.052g/cm³ at 25°C.
In a supporting study from handbook, the density of test chemical was determined to be 1.0497g/cm³ at 25°C.
Particle size distribution
The study does not need to be conducted because the substance is marketed or used in a non-solid or granular form.
Vapour pressure
Based on the available data from handbooks and authoritative database, the vapour pressure of test chemical was determined to be 3.853 Pa (0.0289 mmHg) at 25°C
In a supporting study from authoritative database and secondary source, the vapour pressure of test chemical was estimated to be 3.853 Pa (0.0289 mmHg) at 20 °C by using Modified Grain method.
Partition coefficient
On the basis of 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. The reference substances were chosen according to structural similarity with the test substance. The reference substances were 4 Acetyl Pyridine, Cinnamyl alcohol, Toluene, Naphthalene, Biphenyl, n – Butyl alcohol having Pow value ranging from 0.5 to 4.6. The log Pow value was determined to be 2.1065±0.0017at 25°C.
Additional study from handbooks indicates the octanol water partition co-efficient (log Pow) of test chemical was determined to be 1.88 at 25°C.
Thus, based on the available information, test chemical was considered tobehydrophilic in nature.
Water solubility
Based on the available data from study report,the water solubility determination of test chemical was done as per the OECD guideline 105 (Water solubility) by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 2865 mg/L at 25°C.
In a supporting study, water solubility of test chemical was tested in 3 flasks-water solubility in each flask was determined to be 1058 mg/l, 1121 mg/l and 1073 mg/l. The mean water solubility was determined to be 1084 mg/L at 20°C.
Additional study from peer reviewed journal and authoritative database indicates the water solubility of test chemical as 1420 mg/l at 25°C by the shake flask method.
In an another study, water Solubility of test chemical was estimated to be 2150 mg/L at 25°C, indicating that test substance was soluble in water.
Thus, based on the available information, test chemical was considered to besoluble in water.
Solubility in organic solvents / fat solubility
Based on the available data from study report, the solubility determination of test chemical in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The test was conducted to determine the solubility range for which 0.1 ml of substance was dissolved in different solvents like acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test chemical in various solvents was determined to be >1000 mg/L at 31.2 °C.
Surface tension
On the basis of available data from authoritative database,the surface tension of test chemical was estimated to be 39 mN/m at 25°C.
Flash point
Based on the available data from study report,the flash point of test chemical was determined. The study was performed following the closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test chemical was determined to be 105°C at 96830 Pa.
In a supporting study from handbook and authoritative database, the flash point of the test chemical was determined to be 120°C.
Additional study from handbook indicates the flash point of test chemical as 111°C.
In an another study from handbook,the flash point of test chemical was determined to be >100°C.
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
Test chemical did not catch fire on being exposed to air at room temperature of 27°C and pressure of 966 hPa. This indicates that the test chemical is not auto-flammable.
Flammability
Flash point of test substance was determined to be 105°C at 96830 Pa. On the basis of GHS 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 the 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
Based on the available data from study report,test chemical was reported to be stable in different organic solvents and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.
pH
Based on the available data from study report,the pH of test chemical was determined. Study was performed as per the test guideline OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The mean pH of the test dispersion was determined with the help of digital pH meter. The mean pH was determine to be 4.23 at 25.2°C. Thus, test chemical was considered to be acidic in nature.
Dissociation constant
The study does not need to be conducted because the substance has no ionic structure.
Viscosity
On the basis of the available data from study report, the viscosity determination of test chemical was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of test chemical at 20°C and 40°C was determined to be 21.25 mm²/sec & 17.29 mm²/s and Dynamic viscosity of the test chemical was calculated to be 22.12 mPa.S & 18.00 mPa.S at 20°C and 40°C, respectively.
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