Registration Dossier

Physical & Chemical properties

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 -33.32 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.

From other experimental report , bulk density of test chemical by the mass by volume method was determined to be 0.912 g/cm3 at room temperature of 30 °C.

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)

Granulometry (particle size distribution) is a property that is relevant only to solids. Since test chemical is a liquid substance this testing was not scientifically possible and hence this end point was considered for waiver.

 

Vapour pressure

The vapour pressure of (2-methoxyethyl)benzene was estimated to be 66.7 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.

 

Solubility in organic solvents / fat solubility

The experimental value of solubility of test chemical in ethanol at 30 degC was determined to be 70000 mg/L indicating that the substance is very soluble in ethanol.

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 test chemical was observed to have oxidising property since 57.5 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.

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 -33.32 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.

From other experimental report , bulk density of test chemical by the mass by volume method was determined to be 0.912 g/cm3 at room temperature of 30 °C.

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)

Granulometry (particle size distribution) is a property that is relevant only to solids. Since test chemical is a liquid substance this testing was not scientifically possible and hence this end point was considered for waiver.

 

Vapour pressure

The vapour pressure of (2-methoxyethyl)benzene was estimated to be 66.7 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.

 

Solubility in organic solvents / fat solubility

The experimental value of solubility of test chemical in ethanol at 30 degC was determined to be 70000 mg/L indicating that the substance is very soluble in ethanol.

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 test chemical was observed to have oxidising property since 57.5 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.