Registration Dossier
Registration Dossier
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EC number: 230-072-0 | CAS number: 6938-94-9
Endpoint summary
Administrative data
Description of key information
Appearance/physical state/colour
On the basis of physical observation, the test chemical was observed to be a colourless to very pale yellow liquid.
From other experimental study report, test substance was observed to be a Colorless organic liquid with no odour at 32°C and 970 hPa.
Melting point/freezing point
The Freezing point determination of test substance was done using crushed ice and salt cooling bath. The determination was done on the basis of cooling curve (time vs temperature) obtained when the test item was placed in the cooling bath. The mean freezing point was determined to be -16.8 °C at 974.1 hPa.
Boiling point
The boiling point determination of test substance was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determined to be >240 °C at 978.6 hPa.No decomposition of the substance was observed at the boiling point.
From other experimental report, the boiling point of test substance by the distillation method was determined to be 255 degC at an atmospheric pressure of 970 hPa. No decomposition of the substance was observed at the boiling point.
Density
The density of test substance was determined following OECD guideline 109 according to pycnometer method. The density of the test substance was determined to be 0.9558 gm/cm3at 20 °C and 965.9 hPa
From other experimental study report, the bulk density test substance was determined to be 0.956 g/cm3 at room temperature of 32°C.
From other reliable source like handbook density of the test substance was determined to be 0.97 at 20 °C.
Particle size distribution (Granulometry)
Granulometry (particle size distribution) is a property that is relevant only to solids. Since test substance is liquid, this testing was not scientifically possible and hence this end point was considered for waiver.
Vapour pressure
Authoritative database Danish QSAR prediction and PBT profiler prediction model were used to determine the vapour pressure of the test substance which was estimated as 5.94617 Pa at 25 deg.C by modified version of the Grain method.
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 reference substances were having Pow value ranging from 2,3-Dichloroaniline, Benzophenone, 1,4-Dichlorobenzene, Naphthalene, Benzyl Benzoate, 1,2,4 - Trichlorobenzene, and n - Butylbenzene were chosen having log Pow range from 2.8 to 4.6.The Log Pow value was determined to be 3.389 ± 0.00 6dimensionless at 25°C.
Water solubility
The water solubility determination of test substance was done as per the shake flask method. The solubility was determined to be in range of 500 -1000 mg/l at 26 deg C.
Solubility in organic solvents / fat solubility
The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide was determined to be greater than 1000 g/l , respectively at 24 °C. Hence, the substance was found to be highly soluble in all the organic solvents tested.
Surface tension
From ACD/Labs' ACD/PhysChem Suite the surface tension of test substance was estimated to be 31.1940002441406 mN/m at 25 deg C.
Flash point
The flash point determination of test substance was performed by closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determined to be 120°C at 963.4 hPa.
Auto flammability
Test substance did not catch fire on being exposed to air at room temperature of 32 degC and atmospheric pressure of 970 hPa. This indicates that it is not auto-flammable.
Flammability
From the experimental values of flammability, test chemical was ignited when the flame of bunsen burner having temperature of 950 degC brought in contact with it. Thus it can be concluded that the substance can catch fire only at high temperature of about 950 degC. However since such high temperatures are not found under normal circumstances of transportation and use, the testchemical was considered non-flammable for chemical safety assessment.
Explosiveness
According to theoretical considerations based on chemical structure, test chemical does not possess explosive properties. The reason for this is, there are no chemical groups associated with explosive properties in test chemical. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidising properties
Test chemical was observed to have very mild oxidising property since 59.8 mg of KMnO4 was required for getting the end point of the redox titration for 100 ml of test chemical.
This oxidation potential however is not enough for classifying the chemical as oxidizing. Thus, the chemical is considered as non-oxidizing for the purpose of chemical safety report and classification.
Stability in organic solvents and identity of relevant degradation products
Diisopropyl adipate was found to be stable in organic solvent dichloro methane 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 in a study conducted bySustainability Support Services, AB, 2012.
pH
The pH determination of test substance was performed as per the test guideline OECD 122. The pH of the test solution was determined with the help of pH meter. The pH was determined to be 5.7 at 24 deg C indicating that the substance is acidic in nature.
From oher experimental study, ph of the test substance was determined to be5.46 at 27 degC.
Dissociation constant
The experimental pKa value for test chemical was determined to be 0.000000008046 at 30 degC.
Viscosity
The viscosity determination of test substance was done as per the test guideline OECD 114. The method followed was according to Redwood Viscometer No. 1. Kinematic viscosity (experimental) of test substance at 20°C and 40°C 21.242 mm2/s and 15.84 mm2/s, respectively. Dynamic viscosity (calculated) of test substance at 20°C and 40°C are 20.287mPa.S and 15.127 mPa.S, respectively.
Also from other experimental study report, viscosity of test chemical was determined to be 12.255 mPa sat 35 deg C.
Additional information
Appearance/physical state/colour
On the basis of physical observation, the test chemical was observed to be a colourless to very pale yellow liquid.
From other experimental study report, test substance was observed to be a Colorless organic liquid with no odour at 32°C and 970 hPa.
Melting point/freezing point
The Freezing point determination of test substance was done using crushed ice and salt cooling bath. The determination was done on the basis of cooling curve (time vs temperature) obtained when the test item was placed in the cooling bath. The mean freezing point was determined to be -16.8 °C at 974.1 hPa.
Boiling point
The boiling point determination of test substance was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determined to be >240 °C at 978.6 hPa.No decomposition of the substance was observed at the boiling point.
From other experimental report, the boiling point of test substance by the distillation method was determined to be 255 degC at an atmospheric pressure of 970 hPa. No decomposition of the substance was observed at the boiling point.
Density
The density of test substance was determined following OECD guideline 109 according to pycnometer method. The density of the test substance was determined to be 0.9558 gm/cm3at 20 °C and 965.9 hPa
From other experimental study report, the bulk density test substance was determined to be 0.956 g/cm3 at room temperature of 32°C.
From other reliable source like handbook density of the test substance was determined to be 0.97 at 20 °C.
Particle size distribution (Granulometry)
Granulometry (particle size distribution) is a property that is relevant only to solids. Since test substance is liquid, this testing was not scientifically possible and hence this end point was considered for waiver.
Vapour pressure
Authoritative database Danish QSAR prediction and PBT profiler prediction model were used to determine the vapour pressure of the test substance which was estimated as 5.94617 Pa at 25 deg.C by modified version of the Grain method.
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 reference substances were having Pow value ranging from 2,3-Dichloroaniline, Benzophenone, 1,4-Dichlorobenzene, Naphthalene, Benzyl Benzoate, 1,2,4 - Trichlorobenzene, and n - Butylbenzene were chosen having log Pow range from 2.8 to 4.6.The Log Pow value was determined to be 3.389 ± 0.00 6dimensionless at 25°C.
Water solubility
The water solubility determination of test substance was done as per the shake flask method. The solubility was determined to be in range of 500 -1000 mg/l at 26 deg C.
Solubility in organic solvents / fat solubility
The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide was determined to be greater than 1000 g/l , respectively at 24 °C. Hence, the substance was found to be highly soluble in all the organic solvents tested.
Surface tension
From ACD/Labs' ACD/PhysChem Suite the surface tension of test substance was estimated to be 31.1940002441406 mN/m at 25 deg C.
Flash point
The flash point determination of test substance was performed by closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determined to be 120°C at 963.4 hPa.
Auto flammability
Test substance did not catch fire on being exposed to air at room temperature of 32 degC and atmospheric pressure of 970 hPa. This indicates that it is not auto-flammable.
Flammability
From the experimental values of flammability, test chemical was ignited when the flame of bunsen burner having temperature of 950 degC brought in contact with it. Thus it can be concluded that the substance can catch fire only at high temperature of about 950 degC. However since such high temperatures are not found under normal circumstances of transportation and use, the testchemical was considered non-flammable for chemical safety assessment.
Explosiveness
According to theoretical considerations based on chemical structure, test chemical does not possess explosive properties. The reason for this is, there are no chemical groups associated with explosive properties in test chemical. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidising properties
Test chemical was observed to have very mild oxidising property since 59.8 mg of KMnO4 was required for getting the end point of the redox titration for 100 ml of test chemical.
This oxidation potential however is not enough for classifying the chemical as oxidizing. Thus, the chemical is considered as non-oxidizing for the purpose of chemical safety report and classification.
Stability in organic solvents and identity of relevant degradation products
Diisopropyl adipate was found to be stable in organic solvent dichloro methane 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 in a study conducted bySustainability Support Services, AB, 2012.
pH
The pH determination of test substance was performed as per the test guideline OECD 122. The pH of the test solution was determined with the help of pH meter. The pH was determined to be 5.7 at 24 deg C indicating that the substance is acidic in nature.
From oher experimental study, ph of the test substance was determined to be5.46 at 27 degC.
Dissociation constant
The experimental pKa value for test chemical was determined to be 0.000000008046 at 30 degC.
Viscosity
The viscosity determination of test substance was done as per the test guideline OECD 114. The method followed was according to Redwood Viscometer No. 1. Kinematic viscosity (experimental) of test substance at 20°C and 40°C 21.242 mm2/s and 15.84 mm2/s, respectively. Dynamic viscosity (calculated) of test substance at 20°C and 40°C are 20.287mPa.S and 15.127 mPa.S, respectively.
Also from other experimental study report, viscosity of test chemical was determined to be 12.255 mPa sat 35 deg C.
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