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Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

On the basis of physical observation and using the sense of smell, test chemical is observed to be an odourless white crystalline organic solid at 20 deg C and 1013 hPa.

Melting point:

The melting point determination of test substance was done as per the test guideline OECD 102. The method followed was according toCapillary/metal block. The melting point was determined to be in range of 80°C-85°C at 970.4 hPa.

Boiling Point:

The boiling point determination of test substance was done as per the test guideline OECD 103. The method followed was according toSiwoloboff. The boiling point was determined to be greater than 240 °C at 972.0 hPa.

Density:

The bulk density of 2,2,2-trichloro-1-phenylethyl acetate by the mass by volume method is found to be 0.982 g/cm3 at 25 °C. Density value at 20°C is equivalent to 0.7856 g/cm3.

Granulometry:

The particle size distribution of test substance was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was observed to be in the range of 150 micron to 53 micron.

Vapour pressure:

According to EPI (Estimation Programs Interface) Suite vapour pressure of 2,2,2-trichloro-1-phenylethyl acetate is estimated as 0.000976 mm Hg at 25 deg C by Modified Grain Method.

Partition coefficent:

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.The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared The reference substances were 4-Acetylpyridine, Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, Toluene, Ethylbenzene, Naphthalene, n-Butylbenzene, having Pow value ranging from 0.5 to 4.6 The Log Pow value was determined to be 3.535 ± 0.004 at 25°C.

Water solubility:

The water solubilitydetermination of test item 2,2,2-trichloro-1-phenylethyl acetate;CAS No.90-17-5 was done by spectrophotometric method. The water solubility was found to be 16.5602 mg/L at 25°C.

Solubility in organic solvents:

Gravimetric method was used to determine the solubility of the substance in organic solvent. The solubility of the substance in alcohol (methanol) is found to be 35900 mg/L at 25°C.

Using the Soxhlet/Solvent extraction method the solubility of the substance in Petroleum ether is observed to be 40100 mg/L at 25 °C.

Surface tension:

In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of 2, 2, 2-trichloro-1-phenylethyl acetate.

Flash point:

The study does not need to be conducted because flash point is only relevent to liquids and low melting solids.

Auto-flammability:

The substance 2,2,2-trichloro-1-phenylethyl acetatet is non flammable in nature and so do not have the property of self ignition.

Flammability:

The basic principle is to check on how easily a substance can burn or ignite, causing fire or combustion and based on the experimental study it is concluded that 2,2,2-trichloro-1-phenylethyl acetate is non-flammable in nature.

Explosiveness:

According to theoretical considerations based on chemical structure, 2,2,2-trichloro-1-phenylethyl acetate does not possess explosive or oxidizing properties. The reason for these is there are no chemical groups associated with explosive properties in 2,2,2-trichloro-1-phenylethyl acetate.

Oxidising Properties:

The substance 2,2,2-trichloro-1-phenylethyl acetate do not show any oxidising property.

pH:

pH of 1% w/v aqueous solution of the test substance 2,2,2-trichloro-1-phenylethyl acetate (CAS No. 90-17-5) was found to be 5.4 at 30°C.

Dissociation constant:

The experimental dissociation constant (pKa) value for 2,2,2-trichloro-1-phenylethyl acetate is found to be 0.00027 at 25 degC indicating that it has dissociation properties.

Viscosity:

This end point was considered for waiver since viscosity is an internal property of a liquid that offers resistance to flow and 2, 2, 2-trichloro-1-phenylethyl acetate is a solid substance and hence this testing was considered scientifically unjustified for 2,2,2 -trichloro-1- phenyl ethyl acetate.

Additional information

Appearance:

On the basis of physical observation and using the sense of smell, test chemical is observed to be an odourless white crystalline organic solid at 20 deg C and 1013 hPa.

From other reliable sources, the test chemical physically appeares to be a white crystalline solid having intense rose odor

Melting point:

The melting point determination of test substance was done as per the test guideline OECD 102. The method followed was according toCapillary/metal block. The melting point was determined to be in range of 80°C-85°C at 970.4 hPa.

From other experimental reports,the melting point of test chemical by the capillary method is found to be 86°C at an atmospheric pressure of 970 hPa.There was no decomposition & sublimation observed.

Also from other reliable sources, melting point of test chemicalis observed to be in the range of 86 - 89 degree C.

 

Boiling point:

The boiling point determination of test substance was done as per the test guideline OECD 103. The method followed was according toSiwoloboff. The boiling point was determined to be greater than 240 °C at 972.0 hPa.

From other experimental reports,the boiling point of test chemical by the distillation method was detrmined to be 280.7˚C at an atmospheric pressure of 970 hPa.

Density:

Mass by volume method which uses the Archimedes'principle was used to derive the density of the substance and the bulk density of 2,2,2-trichloro-1-phenylethyl acetate is found to be 0.982 g/cm3 at 25 °C.

 

Granulometry:

The particle size distribution of test substance was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was observed to be in the range of 150 micron to 53 micron.

From other experimental reports, the particle size distribution (granulometry) of test chemical is observed to be in the range of 75 micrometer to 500 micrometer. Majority of the particles were observed to be in the range of the size 225 - 500 (41.83 %) micrometer.

 

Vapour pressure:

According to EPI (Estimation Programs Interface) Suite vapour pressure of 2,2,2-trichloro-1-phenylethyl acetate is estimated as 0.000976 mm Hg at 25 deg C by Modified Grain Method.

Partition coefficient:

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.The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared The reference substances were 4-Acetylpyridine, Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, Toluene, Ethylbenzene, Naphthalene, n-Butylbenzene, having Pow value ranging from 0.5 to 4.6 The Log Pow value was determined to be 3.535 ± 0.004 at 25°C.

Water solubility:

The water solubility determination of test item 2,2,2-trichloro-1-phenylethyl acetate (CAS No. 90-17-5) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of (2,2,2-trichloro-1-phenylethyl acetate of CAS No: 90-17-5 )in water was found to be 16.5602 mg/L at 25°C.

This value indicates that 2,2,2-trichloro-1-phenylethyl acetate is slightly soluble in water.

Solubility in organic solvents:

Gravimetric method was used to determine the solubility of the substance in organic solvent. The solubility of the substance in alcohol (methanol) is found to be 35900 mg/L at 25°C.

Using the Soxhlet/Solvent extraction method the solubility of the substance in Petroleum ether is observed to be 40100 mg/L at 25 °C.

 

Surface tension:

In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of 2, 2, 2-trichloro-1-phenylethyl acetate.

Flash point:

The study does not need to be conducted because flash point is only relevent to liquids and low melting solids.

Auto-flammability:

Temperature at which substance catches fire without the help of a source of ignition such as exposure to air is the basic principle based on which it is concluded that the substance 2,2,2-trichloro-1-phenylethyl acetatet is non flammable in nature and so do not have the property of self ignition.

Flammability:

The basic principle is to check on how easily a substance can burn or ignite, causing fire or combustion and based on the experimental study it is concluded that 2,2,2-trichloro-1-phenylethyl acetate is non-flammable in nature.

Explosiveness:

According to theoretical considerations based on chemical structure, 2,2,2-trichloro-1-phenylethyl acetate does not possess explosive or oxidizing properties. The reason for these is there are no chemical groups associated with explosive properties in 2,2,2-trichloro-1-phenylethyl acetate.

Thus, as per column 2 of Annex VII this information is not required.

Oxidising properties:

The principle method used to determine the oxidising property of the substance is to determine the degree of oxidation of a chemical compound. According to redox titration considerations, 2,2,2-trichloro-1-phenylethyl acetate does not possess oxidising properties. Thus, it is unlikely to cause or contribute to the combustion of other material during transport, storage or use.

pH:

The pH determination of test substance2,2,2-trichloro-1-phenylethyl acetate(CAS No. 90-17-5) was done as per the test guideline OECD 122. The pH of the test solution was determined with the help ofpH meter. The pH was found to be 5.4 at 300C.Hence the substance is acidic in nature.

Dissociation constant:

The experimental dissociation constant (pKa) value for 2,2,2-trichloro-1-phenylethyl acetate is found to be 0.00027 at 25 degC indicating that it has dissociation properties.

Viscosity:

This end point was considered for waiver since viscosity is an internal property of a liquid that offers resistance to flow and 2, 2, 2-trichloro-1-phenylethyl acetate is a solid substance and hence this testing was considered scientifically unjustified for 2,2,2 -trichloro-1- phenyl

ethyl acetate.