Registration Dossier
Registration Dossier
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EC number: 202-336-5 | CAS number: 94-47-3
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 colourless liquid.
Freezing point
Based on the available data from study report, the freezing point of test chemical was determined. The method was used crushed ice and salt at respective atmospheric pressure using Micro LAB Interface FS–524 data generation system and thermistor as temperature detection system. The test was conducted in replicates and mean freezing point was determined to be < -8.57°C at 97120 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 test was conducted in replicates and mean boiling point was determined to be > 300°C at 96470 Pa.
Density
On the basis of available data from study report,the density of test chemical was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using glass pyknometer. The mean density of test chemical was determined to be 1.1058 g/cm³ at 20°C and 965.3 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 handbook, authoritative database, secondary source and modelling database,MPBPVP v1.43 of EPI suite was used to estimate the vapour pressure of test chemical. The estimated vapour pressure of the test chemical at 25°C was evaluated to be 0.0147 Pa (0.00011 mmHg).
Partition coefficient
On the basis of available data from study report, thepartition 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 sample of test chemical was prepared by adding 4 μL in acetonitrile to prepare 442.32 mg/L and pH of the resulting solution was 6.7. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Formamide,Acetophenone, Ethylbenzene, Diphenylamine, Biphenyl, Benzophenone and Butylbenzenehaving Pow value ranging from 1.3 to 5.0. The Log Pow value was determined to be 3.815 ± 0.020 at 25°C.
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) and OECD 101 by using spectrophotometric analytical method. The solubility of test chemical in water was determined to be 207.210 mg/L at 25°C. On the basis of this value, test chemical was considered to be moderately soluble in water.
Surface tension
On the basis of available data from secondary source, the surface tension of test chemical was estimated to be43.1±3.0 mN/m.
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 109°C at 96630 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 28°C and at pressure of 975 hPa. This indicates that the test chemical is not auto-flammable.
Flammability
Flash point of test substance was determined to be 109°C at 96630 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.
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 4.7 at 31°C. Thus, test chemical was considered to be acidic in nature.
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 27.7381 mm²/sec & 23.8602 mm²/s and Dynamic viscosity of the test chemical was calculated to be 30.6727 mPa.S & 26.3846 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 colourless liquid.
Additional study fromsecondary source alsoindicates theappearance of test chemicalas organic liquid.
Freezing point
Based on the available data from study report, the freezing point of test chemical was determined. The method was used crushed ice and salt at respective atmospheric pressure using Micro LAB Interface FS–524 data generation system and thermistor as temperature detection system. The test was conducted in replicates and mean freezing point was determined to be < -8.57°C at 97120 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 test was conducted in replicates and mean boiling point was determined to be > 300°C at 96470 Pa.
In a supporting study fromhandbook, the boiling point of test chemical was determined to be 327.88°C.
In an another study from modelling database, he boiling point of test chemical was predicted using the EPI Suite MPVPBP V1.43. The estimated boiling point of test chemical was evaluated to be 330.98˚C
Density
On the basis of available data from study report,the density of test chemical was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using glass pyknometer. The mean density of test chemical was determined to be 1.1058 g/cm³ at 20°C and 965.3 hPa.
In a supporting study fromhandbooks andauthoritative database, the density of test chemical was determined to be 1.0891 gm/cm3 at 25°C.
Additional study from secondary sourceindicates the density of test chemical as 1.106±0.06 gm/cm3 at 20°C and 1013.2499 Pa.
From the available data from secondary source, the density of test chemical was estimated to be 1.1±0.1 g/cm3.
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 handbook, authoritative database, secondary source and modelling database,MPBPVP v1.43 of EPI suite was used to estimate the vapour pressure of test chemical. The estimated vapour pressure of the test chemical at 25°C was evaluated to be 0.0147 Pa (0.00011 mmHg).
Partition coefficient
On the basis of available data from study report, thepartition 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 sample of test chemical was prepared by adding 4 μL in acetonitrile to prepare 442.32 mg/L and pH of the resulting solution was 6.7. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Formamide,Acetophenone, Ethylbenzene, Diphenylamine, Biphenyl, Benzophenone and Butylbenzenehaving Pow value ranging from 1.3 to 5.0. The Log Pow value was determined to be 3.815 ± 0.020 at 25°C.
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) and OECD 101 by using spectrophotometric analytical method. The solubility of test chemical in water was determined to be 207.210 mg/L at 25°C. On the basis of this value, test chemical was considered to be moderately soluble in water.
Surface tension
On the basis of available data from secondary source, the surface tension of test chemical was estimated to be43.1±3.0 mN/m.
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 109°C at 96630 Pa.
In a supporting study from handbooks, 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 28°C and at pressure of 975 hPa. This indicates that the test chemical is not auto-flammable.
Flammability
Flash point of test substance was determined to be 109°C at 96630 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.
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 4.7 at 31°C. Thus, test chemical was considered to be acidic in nature.
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 27.7381 mm²/sec & 23.8602 mm²/s and Dynamic viscosity of the test chemical was calculated to be 30.6727 mPa.S & 26.3846 mPa.S at 20°C and 40°C, respectively.
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