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Registration Dossier
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EC number: 215-885-0 | CAS number: 1443-80-7
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, 4'-cyanoacetophenone was observed to be a light yellow to yellow-beige crystalline powder.
Melting point:
Melting point of 4'-Cyanoacetophenone is determine in the range between 57 to 58 Deg C.
Boiling Point:
Boiling point of 4'-Cyanoacetophenone is determine to be 264.27 Deg C.
Density:
Density of 4'-Cyanoacetophenone is determine to be 1.555 g/cm3 at temperature 25 Deg C.
Particle size distribution:
The particle size distribution of 4'-cyanoacetophenone was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.
Vapour pressure:
The estimated vapour pressure of 4'-cyanoacetophenone at 25 deg C was 0.8559 Pa.
Partition coefficient:
Based on the available data from experimental study report,the partition Coefficient n-octanol/water of chemical 4'-cyanoacetophenone (CAS No. 1443-80-7) 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 weighing 4 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 5.5. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared was prepared. The reference substances were Acetophenone, Benzophenone, Phenol, Benzene, 4 -Acetylpyridine, 2 -Nitrophenol, Nitrobenzene having Pow value ranging from 0.5 to 3.2.The Log Pow value was determined to be 1.531 ± 0.000 at 25°C.On the basis of this value, the test substance 4'-cyanoacetophenone can be considered to be hydrophilic in nature.
Water solubility:
The estimated water solubility of 4'-cyanoacetophenone at 25 deg C was 3930 mg/l.
Surface tension:
Based on the data from ACD labs, surface tension for 4'-cyanoacetophenone was predicted to be 0.045 N/m.
Flash point:
Flash point of 4'-cyanoacetophenone is estimated to be 131.2 Deg C.
Auto flammability:
4'-cyanoacetophenone did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 4'-cyanoacetophenone is not auto-flammable.
Flammability:
4'-cyanoacetophenone 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 4'-cyanoacetophenone is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 4'-cyanoacetophenone was considered non-flammable for chemical safety assessment.
Explosiveness:
The study does not need to be conducted because 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.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, 4'-cyanoacetophenone was observed to be a light yellow to yellow-beige crystalline powder.
Melting point:
Melting point of 4'-Cyanoacetophenone is determine in the range between 57 to 58 Deg C.
From other reliable source it is concluded that Melting point of 4'-Cyanoacetophenone is concluded to be 56.5 Deg C.
Boiling Point:
Boiling point of 4'-Cyanoacetophenone is determine to be 264.27 Deg C.
From other reliable sources & authorative databases it is concluded that boiling point of 4'-Cyanoacetophenone is concluded in the range between 122 -125 Deg C at pressure 0.40 kPa & 155-156 Deg C at pressure 0.66 kPa.
Density:
Density of 4'-Cyanoacetophenone is determine to be 1.555 g/cm3 at temperature 25 Deg C.
Particle size distribution:
The particle size distribution of 4'-cyanoacetophenone was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.
Vapour pressure:
The estimated vapour pressure of 4'-cyanoacetophenone at 25 deg C was 0.8559 Pa.
Partition coefficient:
Based on the available data in a key studyfrom experimental study report,the partition Coefficient n-octanol/water of chemical 4'-cyanoacetophenone (CAS No. 1443-80-7) 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 weighing 4 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The Log Pow value was determined to be 1.531 ± 0.000 at 25°C.
In a supporting study from handbook, authoritative databases and secondary source, the partition coefficient (log Pow) value of the substance 4'-Cyanoacetophenone was determined to be 1.22.
Thus, based on the available information, the logPow valueof the test substance 4'-Cyanoacetophenone ranges from 1.22 to 1.531, respectively. On the basis of this value, chemical 4'-Cyanoacetophenone can be considered to be hydrophilic in nature.
Water solubility:
The estimated water solubility of 4'-cyanoacetophenone at 25 deg C was 3930 mg/l.
Based on the estimated value, 4'-cyanoacetophenone was soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for 4'-cyanoacetophenone was predicted to be 0.045 N/m.
Flash point:
Flash point of 4'-cyanoacetophenone is estimated to be 131.2 Deg C.
Auto flammability:
4'-cyanoacetophenone did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 4'-cyanoacetophenone is not auto-flammable.
Flammability:
4'-cyanoacetophenone 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 4'-cyanoacetophenone is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 4'-cyanoacetophenone was considered non-flammable for chemical safety assessment.
Explosiveness:
The study does not need to be conducted because 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.
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