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EC number: 211-889-1 | CAS number: 705-86-2
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 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 < -7.07°C at 96460 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 > 250°C at 96710 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 0.9661 g/cm³ at 20°C and 965.0 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 modelling database and secondary source, MPBPVP v1.43 of EPI suite was used to estimate the vapour pressure of test chemical. The estimated vapour pressure of test chemical at 25°C was evaluated to be 0.63 Pa (0.00475 mm Hg).
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. A test chemical solution was prepared by accurately pipetting 4 microlitre of test chemical and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 381.6 mg/l. The pH of test substance was 6.0. 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, Chlorobenzene, Bromobenzene, 2,3-Dichloroaniline, 4- Acetylpyridine, Acetanilide, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4 -Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, Dodecanoic acid, Toluene, Ethylbenzene, n- Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether having Pow value ranging from 0.3 to 4.6. The Log Pow value of the test chemical was determined to be 3.016 ± 0.003 at 25°C. On the basis of this value, test chemical was considered to be hydrophilic.
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 952.33 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 be 30.2±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 122°C at 97250 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 pressure of 975 hPa. This indicates that the test chemical is not auto-flammable.
Flammability
Flash point of test substance was determined to be 122°C at 97250 Pa. On the basis of GHS classification crtieria, 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 24.7 mm²/sec & 21.983 mm²/s and Dynamic viscosity of the test chemical was calculated to be 23.8626 mPa.S & 21.2377 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.
In a supporting study fromhandbooks, authoritative database and secondary source,the appearance of test chemical was observed to be colourless organic liquid.
Additional study fromhandbooks and secondary sourceindicates theappearance of test chemicalas colourless organic liquid with coconut, fruity like odor, butterlike on dilution.
In an another supporting study from handbooks, test chemical appears to be a colorless, viscous liquid with a creamy-coconut, peach like aroma.
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 < -7.07°C at 96460 Pa.
Additional study fromhandbooks and authoritative databasesindicates the freezing point of test chemical as -27°C.
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 > 250°C at 96710 Pa
In a supporting study from handbook, the boiling point of test chemical was determined to be 281°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 0.9661 g/cm³ at 20°C and 965.0 hPa.
In a supporting studies fromhandbooks andauthoritative database, the density of test chemical was determined to be 0.954 gm/cm3 at various temperatures i.e, 27.5°C, 25°C and 20°C, respectively.
Additional study fromauthoritative databaseindicates the density of test chemical as 0.9723 at 20°C.
In another study from authoritative database,the density of test chemical was determined to be 0.971 g/cm3.
From the available data from predicted database, the density of test chemical was estimated to be 0.940±0.06 g/cm3 at 20°C and 1013.25 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 modelling database and secondary source, MPBPVP v1.43 of EPI suite was used to estimate the vapour pressure of test chemical. The estimated vapour pressure of test chemical at 25°C was evaluated to be 0.63 Pa (0.00475 mm Hg).
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. A test chemical solution was prepared by accurately pipetting 4 microlitre of test chemical and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 381.6 mg/l. The pH of test substance was 6.0. 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, Chlorobenzene, Bromobenzene, 2,3-Dichloroaniline, 4- Acetylpyridine, Acetanilide, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4 -Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, Dodecanoic acid, Toluene, Ethylbenzene, n- Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether having Pow value ranging from 0.3 to 4.6. The Log Pow value of the test chemical was determined to be 3.016 ± 0.003 at 25°C. On the basis of this value, test chemical was considered to be hydrophilic.
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 952.33 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 be 30.2±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 122°C at 97250 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 pressure of 975 hPa. This indicates that the test chemical is not auto-flammable.
Flammability
Flash point of test substance was determined to be 122C at 97250 Pa. On the basis of GHS classification crtieria, 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 24.7 mm²/sec & 21.983 mm²/s and Dynamic viscosity of the test chemical was calculated to be 23.8626 mPa.S & 21.2377 mPa.S at 20°C and 40°C, respectively.
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