Registration Dossier
Registration Dossier
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EC number: 203-131-3 | CAS number: 103-64-0
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, test chemicalwas observed to be a clear yellowish liquid.
Melting point/Freezing point:
Freezing point of test chemical was determined to be -5.63 degree celcius.
Boiling point:
In an experiment,the boiling point determination of test item 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 213.3°C at 972.4 hPa.
Density:
The density of test chemical was determined following OECD Guideline 109 and according to theIS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using glass pyknometer. The mean density of test chemical was determined to be 1.4162 g/cm³ at 20°C and 968.1 hPa.
Particle Size Distribution:
The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form.
Test chemical was observed to be yellowish coloured liquid having strong floral odour.
Vapor Pressure:
The estimated vapor pressure of test chemical at 25 deg C was 16.4 Pa.
Partition Coefficient:
The partition Coefficient n-octanol/water of test chmeical 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 estimated Pow range of the test substance and generalized calibration graph was prepared.
The reference substancesBenzene, Biphenyl, 4-Acetylpyridine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene were chosen having log Pow
range from 0.5 to 4.6
The Log Pow value was determined to be3.391 ± 0.005dimensionless at 25°C.
This value indicates that the substance is hydrophilic in nature.
Water Solubility:
The solubility of test chemical in water was determine to be 56.624 mg/L at 25°C.
Thus the test chemical is considered to be slightly soluble.
Surface tension:
Based on the data from ACD labs, surface tension for test chemical was predicted to be 41.5 ± 3.0 dyne/cm.
Flash point:
The flash point determination of test substance was done as per the test guideline OECD 103. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determined to be 79.6°C at 970.2 hPa.
Autoflammability:
Test chemical did not catch fire on being exposed to air at room temperature of 27°C at a 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 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
Oxidising 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 chemical was done as per the test guideline OECD 122. The mean pH of the test dispersion was determined with the help of digital pH meter. The mean pH was determined to be 4.61 at 30.5 °C.
Viscosity:
Dynamic viscosity (calculated) of test chemical at 20 0C and 40 0C is 21.1614 mPa.S and 16.3010 mPa.S, respectively.
Additional information
Appearance:
From experimental study, On the basis of physical observation and using the sense of smell, test chemical was observed to be a clear yellowish liquid.
Based on available data from reliable sources such as authoritative database and handbook the test chemical was observed to be yellowish coloured liquid having strong floral odour.
Other supporting study from various authoritative databases also indicates that the test chemical was observed to be pale yellow coloured liquid having strong Hyacinth odor.
Melting point/Freezing point:
From experimental report, Freezing point of test chemical was determined to be -5.63 degree celcius.
Based on available data from reliable sources such as authoritative database and handbook ,the freezing point of test chemical was determined to be -2 degree C.
Thus the freezing point of test chemical was determined to be -7.48 degree celcius.
Boiling point:
In an experiment,the boiling point determination of test item 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 213.3°C at 972.4 hPa.
Other supporting study from authoritative database indictes that the boiling point of test chemical was determined to be in the range of 107-108 deg C at 22 to 26 mm Hg and 112 degree celcius at 20 mm Hg.
As the data from experiment has K1 reliability and the test was performed using OECD guidelines which has the value of boiling point temperature as 213.3 degree C thus considered as key study for the chemical safety assessment.
Density:
The density of test chemical was determined following OECD Guideline 109 and according to theIS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using glass pyknometer. The mean density of test chemical was determined to be 1.4162 g/cm³ at 20°C and 968.1 hPa.
Based on available data from reliable sources such as authoritative database and handbook ,the density of test chemical was determined to be in the range of 1.395 g/cm3 to 1.424 g/cm3.
Other supporting study from authoritative database indicates that the density of test chemical was determined to be 1.422 g/cm3 at 20 degree C.
As the data from experiment has K1 reliability and the test was performed using OECD guidelines which has the value of mean density as 1.4162 g/cm³ at 20°C and 968.1 hPa thus considered as key study for the chemical safety assessment.
Particle Size Distribution:
The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form.
Test chemical was observed to be yellowish coloured liquid having strong floral odour.
Vapor Pressure:
Data from authoritative databases suggests that the estimated vapor pressure of test chemical at 25 deg C was 16.4 Pa.
Partition Coefficient:
The partition Coefficient n-octanol/water of test chmeical 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 estimated Pow range of the test substance and generalized calibration graph was prepared.
The reference substancesBenzene, Biphenyl, 4-Acetylpyridine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene were chosen having log Pow
range from 0.5 to 4.6
The Log Pow value was determined to be3.391 ± 0.005dimensionless at 25°C.
This value indicates that the substance is 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 determine to be 56.624 mg/L at 25°C.
In another study,the solubility of test chemical in water at 25 deg C was determined to be 107.9 mg/l.This value indicates that test chemical is moderately soluble in water.
As the data from experiment has K1 reliability and the test was performed using OECD guidelines which has the value of water solubility as 56.624 mg/l at 25°C, thus considered as key study for the chemical safety assessment.
Surface tension:
Based on the data from ACD labs, surface tension for test item was predicted to be 41.5 ± 3.0 dyne/cm.
Flash point:
The flash point determination of test substance was done as per the test guideline OECD 103. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determined to be 79.6°C at 970.2 hPa.
From the available data from reliable source, the flash point of test chemical was determined to be 79 degree C. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the substance was considered to be non-flammable.
As the data from experiment has K1 reliability and the test was performed using OECD guidelines which has the value of flash point as 79.6°C at 970.2 hPa, thus considered as key study for the chemical safety assessment.
Autoflammability:
Test chemical did not catch fire on being exposed to air at room temperature of 27°C at a 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 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
Oxidising 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 chemical was done as per the test guideline OECD 122. The mean pH of the test dispersion was determined with the help of digital pH meter. The mean pH was determined to be 4.61 at 30.5 °C.
Viscosity:
The viscosity determination of test substance was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Dynamic viscosity (calculated) of test chemical at 20 0C and 40 0C is 21.1614m Pa.S and 16.3010m Pa.S, respectively.
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