Registration Dossier
Registration Dossier
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EC number: 222-619-7 | CAS number: 3558-60-9
Endpoint summary
Administrative data
Description of key information
Appearance/physical state/colour
On the basis of physical observation and using the sense of smell, the test chemical was observed to be a colourless organic liquid with no odour at 30°C and 975 hPa.
From other reliable sources, physical appearence of test chemical was reportd to be in liquid form with fragrant odour.
Melting point/freezing point
The freezing point of test chemical was estimated to be -17.57 deg C by means of Adapted Joback Method from EPI suite.
Boiling point
The boiling point determination of test chemical was performed as per the test guideline OECD 103. The method followed was according toSiwoloboff. The boiling point was determined to be 168 °C at 968.5 hPa.
The other authoritative sources of information though indicate the boiling point to be in the range of 185 -190 degC.However for the purpose of the dossier as well as for the chemical safety report, the boiling point of the key study which is 168 degC shall be considered.
Density
The density of test chemical was determined following OECD guideline OECD 109 according to pycnometer method. The density of the test chemical was found to be 0.9435 gm/cm3at 20 °C and 964.2 hPa.
Also from other reliable sources, density of test chemical was reported to be 0.95 g/cm3 at 2 degree C.
Particle size distribution (Granulometry)
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form
Vapour pressure
The vapour pressure of test chemical was estimated to be 73 Pa at 25°C.
Partition coefficient
Based on the available data from experimental study report,the partition Coefficient n-octanol/water of chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately pipetting 4 microlitre of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 380 mg/l(calculated according to its density). The pH of test substance was 6.1. 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, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4-Dichlorobenzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichloro benzene, Dodecanoic acid, Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5. The Log Pow value of the test chemical was determined to be 2.845 ± 0.002 at 25°C. On the basis of this value, the test chemical can be considered to be hydrophilic in nature.
Water solubility
The water solubility determination of test chemical was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 682.18 mg/L at 25°C.
Surface tension
Surface tension of test chemical was estimated to be 31.3 ± 3.0 mN/m.
Flash point
The flash point determination of test substance was performed by closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test substance was determined to be 68 °C at 965.7 hPa.
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 Test chemical 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 Test chemical 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.
Explosiveness
According to theoretical considerations based on chemical structure, test substance does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in it. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidising 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 is observed to be 6.8 at 31°C.
Additional information
Appearance/physical state/colour
On the basis of physical observation and using the sense of smell, the test chemical was observed to be a colourless organic liquid with no odour at 30°C and 975 hPa.
From other reliable sources, physical appearence of test chemical was reportd to be in liquid form with fragrant odour.
Melting point/freezing point
The freezing point of test chemical was estimated to be -17.57 deg C by means of Adapted Joback Method from EPI suite. From other eliable source thefreezing point is predicted to be -20 deg C .
However for the purpose of the dossier as well as for the chemical safety report, the boiling point of the key study which is -17.57 degC shall be considered.
Boiling point
The boiling point determination of test chemical was performed as per the test guideline OECD 103. The method followed was according toSiwoloboff. The boiling point was determined to be 168 °C at 968.5 hPa.
The other authoritative sources of information though indicate the boiling point to be in the range of 185 -190 degC.However for the purpose of the dossier as well as for the chemical safety report, the boiling point of the key study which is 168 degC shall be considered.
Density
The density of test chemical was determined following OECD guideline OECD 109 according to pycnometer method. The density of the test chemical was found to be 0.9435 gm/cm3at 20 °C and 964.2 hPa.
Also from other reliable sources, density of test chemical was reported to be 0.95 g/cm3 at 20degree C.
Particle size distribution (Granulometry)
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form
Vapour pressure
The vapour pressure of test chemical was estimated to be 73 Pa at 25°C. Other reliable source also depicts the vapour pressure to be 73 Pa supporting the key study .
Partition coefficient
Based on the available data from experimental study report,the partition Coefficient n-octanol/water of chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately pipetting 4 microlitre of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 380 mg/l(calculated according to its density). The pH of test substance was 6.1. 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, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4-Dichlorobenzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichloro benzene, Dodecanoic acid, Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5. The Log Pow value of the test chemical was determined to be 2.845 ± 0.002 at 25°C. On the basis of this value, the test chemical can be considered to be hydrophilic in nature.
Water solubility
The water solubility determination of test chemical was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 682.18 mg/L at 25°C.
Surface tension
Surface tension of test chemical was estimated to be 31.3 ± 3.0 mN/m.
Flash point
The flash point determination of test substance was performed by closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test substance was determined to be 68 °C at 965.7 hPa.
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 Test chemical 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 Test chemical 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.
Explosiveness
According to theoretical considerations based on chemical structure, test substance does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in it. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidising 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 is observed to be 6.8 at 31°C.
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