Registration Dossier
Registration Dossier
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EC number: 203-837-1 | CAS number: 111-13-7
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation, test chemical was observed to be clear colourless liquid in appearance.
Melting point:
Based on available data from various reliable sources such as review article and handbook, freezing point of test chemical was determined to be -16 degree C.
Boiling Point:
The boiling point determination of test chemical, 98% was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 168.3°C at 975.3 hPa.
Density:
The density of test item, 98% was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision)using glass pyknometer. The mean density of test item was determined to be 0.8154 g/cm³ at 20°C and 976.0 hPa.
Particle size distribution:
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form. Test chemical 2 -Octanone is physically appear as a liquid.
Vapour pressure:
Various authorative databases and handbooks indicate that the vapour pressure of the test substance was determined to be 179.98 Pa at 25°C.
Partition coefficient:
Based on the available data from study report,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. A test item solution was prepared by accurately measuring 4μL of test item and diluted with methanol up to 10 ml. Thus, the test solution concentration was 327.6 mg/l. The pH of test substance was 6.95. 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 1.0 to 4.6. The Log Pow value was determined to be 1.9565 ± 0.0013 at 25°C. Based on this value, it can be concluded that test chemical is hydrophilic in nature.
Water solubility:
Data from handbooks and authoritative databases suggest that the experimental water solubility of 2 -octanone at 25 Deg C was 1300 mg/L.
This value indicates that 2 -octanone is soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for test chemical was predicted to be 25.8 mN/m.
Flash point:
From authoritative database for flash point of test chemical was determined to be 56°C. Based on criteria mentioned in CLP regulation the chemical has flash point <than 60 degree C hence the substance was considered to be classified in flammable category 3.
Auto flammability:
From authorative database auto-ignition temperature of test chemical was determine to be 295°C. It is a flammable liquid and falls in the temperature class T3 and explosion group: IIA.
Flammability:
Based on the above handbooks and databases, test chemical is a flammable liquid when exposed to flames, oxidizers or heat. When heated to decomposition it emits acid smoke and irritating fumes.
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 there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test item, 98% was done following OECD guideline 122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 4.62 at 27 °C.
Viscosity:
The viscosity determination of Test item,98% was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of Test item at 20°C and 40°C is 14.3352 mm²/sec and 13.3584 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 11.6889 mPa.S and 10.8924 mPa.S, respectively.
Additional information
Appearance:
On the basis of physical observation, test chemical was observed to be clear colourless liquid in appearance.
Other supporting studies from various reliable sources such as reveiw article, handbooks and authoritative database, also indicates that test chemical was observed to be colourless liquid in appearance with Floral, bitter with a pleasant fruit like odour resembling the essence of apple.
Melting point:
Based on available data from various reliable sources such as review article and handbook, freezing point of test chemical was determined to be -16 degree C.
Other supporting studies from various reliable sources such as authoritative database and handbooks also indicates that the freezing point of test chemical was determined to be in the range of -20.6 degree C to -21.5 degree C which is very close to key value.
Boiling Point:
The boiling point determination of test chemical, 98% was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 168.3°C at 975.3 hPa.
Other supporting studies from various reliable sources such as authoritative database and handbooks also indicates that the boiling point of test chemical was determined to be in the range of 172 degree C to 175 degree C.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of boiling point temperature as 168.3 degree C at 975.3 hpa pressure,thus considered as key study.
Density:
The density of test item, 98% was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision)using glass pyknometer. The mean density of test item was determined to be 0.8154 g/cm³ at 20°C and 976.0 hPa.
Other supporting studies from various reliable sources such as authoritative database and handbooks also indicates that the density of test chemical was determined to be in the range of 0.813 – 0.818 g/cm³ and 0.820 g/cm3 at 20 degree C.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density as 0.8154 g/cm3 at 20 degree C,thus considered as key study.
Particle size distribution:
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form. Test chemical 2 -Octanone is physically appear as a liquid.
Vapour pressure:
Various authorative databases and handbook source indicate that the vapour pressure of the test substance was determine to be 179.98 Pa at 25°C.
Supporting studies from authorative dataabases and handbooks showed the vapour pressure lies in the range of 99.991 Pa to 180 Pa at 20 °C.
Partition coefficient:
Based on the available data from study report,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. A test item solution was prepared by accurately measuring 4μL of test item and diluted with methanol up to 10 ml. Thus, the test solution concentration was 327.6 mg/l. The pH of test substance was 6.95. 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 1.0 to 4.6. The Log Pow value was determined to be 1.9565 ± 0.0013 at 25°C. Based on this value, it can be concluded that test chemical is hydrophilic in nature.
Water solubility:
Data from handbooks and authoritative databases suggest that the experimental water solubility of 2 -octanone at 25 Deg C was 1300 mg/L.
This value indicates that 2 -octanone is soluble in water.
Even though various other authorative handbook and database sources experimental value is 900 mg/L at 20 deg C affirms the possibility of test chemical to be soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for test chemical was predicted to be 25.8 mN/m.
Flash point:
Data from authoritative database for flash point of test chemical was determined to be 56°C was considered as key study with the supporting data from reliable handbook source the flash point was determined to be 52°C. Based on criteria mentioned in CLP regulation the chemical has flash point <than 60 degree C hence the substance was considered to be classified in flammable category 3.
Auto flammability:
From authorative database auto-ignition temperature of the test chemical was determined to be 295°C. It is a flammable liquid and falls in the temperature class T3 and explosion group: IIA.
Supporting studies from study reports indicate that the auto-ignition temperature of test substance was determined to be in the range 422°C to 587.77°C.
Flammability:
Based on the above handbooks and databases, test chemical is a flammable liquid when exposed to flames, oxidizers or heat. When heated to decomposition it emits acid smoke and irritating fumes.
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 there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test item, 98% was done following OECD guideline 122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 4.62 at 27 °C.
Viscosity:
The viscosity determination of Test item,98% was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of Test item at 20°C and 40°C is 14.3352 mm²/sec and 13.3584 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 11.6889 mPa.S and 10.8924 mPa.S, respectively.
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