Registration Dossier
Registration Dossier
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EC number: 208-395-3 | CAS number: 526-75-0
Endpoint summary
Administrative data
Description of key information
Appearance
On the basis of physical observation, test chemical was observed to be a reddish brown colored organic solid compound in crystalline form.
Melting point
On the basis of available data from study report, the melting point determination of test chemical was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean melting temperature range was determine to be 69 °C - 72.3°C at 965.6hPa.
Boiling Point
Based on the data from study report. the boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point of test chemical was determined to be 220°C at 967.1 hPa.
Density
On the basis of available data from study report, the density of test chemical was determined following OECD guideline 109 and according to OECD guideline 109 and according to the method adapted from ASTM D 854-02. The mean density of the test item was determine to be 0.9192 g/cm³at 20°C and 968.5 hPa.
Particle size distribution
The particle size distribution of test chemical was determined by Granulometric analysis with Rotap sieve shaker. The particle size distribution was determined to be 150 micron.
Vapour pressure
On the basis of data from handbook, the vapor pressure of test chemical at various temperatures using ebulliometry. The experimental vapor pressure at 196°C was 59995 Pa and 101325 Pa at 219°C. The vapor pressure at 219°C was 101325 Pa (i.e atmospheric pressure), which indicates that the boiling point of test chemical was 219°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 weighing 5 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.6. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were 4-Methoxyphenol, Phenol, Benzene, Biphenyl, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Allyl phenyl ether having Pow value ranging from 1.3 to 4.6 The Log Pow value was determined to be 2.115 ± 0.002 at 25°C.
Water solubility
On the basis of available data from study report, 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 4331.5 mg/L at 30°C. Thus, test chemical was considered to be soluble in water.
Surface tension
The study does not need to be conducted because surface activity is not a desired property of the material.
Flash point
On the basis of available data from study report, 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 98.6°C at 966.6hPa. Thus, on the basis of criteria mentioned in CLP regulation, the chemical has flash point > 60°C hence the substance was considered to be not flammable.
Auto flammability
Based on the available data from authoritative database, the auto ignition temperature of test chemical was determined to be >500 °C.
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.
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.
pH
On the basis of available data from study report, the pH of test chemical was determined. The study was performed in accordance with OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The mean pH of the 1% w/v test dispersion was determined with the help of digital pH meter. The mean pH was determined to be 4.49 at 25°C. Thus, test chemical was considered to be acidic in nature.
Additional information
Appearance
On the basis of physical observation, test chemical was observed to be a reddish brown colored organic solid compound in crystalline form.
In a supporting study from authoritative database, the test chemical was observed to be colourless to yellowish Needles or plates in appearance having pungent odour.
Additional study from handbook indicates appearance of test chemical asneedles or crystals from EtOH.
For the test chemical from reliable source, the appearance of test chemical was observed to be needles from water or dilute alcohol in appearance.
In an additional study, the appearance of test chemical was observed to be crystalline solid.
Melting point
On the basis of available data from study report, the melting point determination of test chemical was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean melting temperature range was determine to be 69 °C - 72.3°C at 965.6hPa.
In a supporting study from reliable sources such as authoritative database and handbook, the melting point of test chemical was determined to be in the range of 73°C to 75°C.
Additional study from reliable sources indicates the melting point of test chemical as 75°C.
Based on available data from reliable sources such as authoritative database and handbook, the melting point of test chemical was determined to be 72.8°C.
For the test chemical, the melting point of test chemical was determined to be 72.5°C.
Boiling Point
Based on the data from study report. the boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point of test chemical was determined to be 220°C at 967.1 hPa.
In a supporting study from authoritative database and handbook, the boiling point of test chemical was determined to be 216.9°C.
Additional study from authoritative database indicates the boiling point of test chemical as 216°C.
In a supporting study from reliable sources, the boiling point of test chemical was determined to be 218°C.
For the test chemical from reliable handbook, the boiling point of test chemical was determined to be 217°C.
Density
On the basis of available data from study report, the density of test chemical was determined following OECD guideline 109 and according to OECD guideline 109 and according to the method adapted from ASTM D 854-02. The mean density of the test item was determine to be 0.9192 g/cm³at 20°C and 968.5 hPa.
In a supporting study from authoritative database, the density of test chemical was determined to be 0.94 g/cm3 at 75.5°C
Additional study from handbook indicates the density of test chemical as 3.31 g/cm3 at 15°C
Based on prediction done using ACD/I-Lab 2.0,the density of test chemical was estimated to be 1.014 ± 0.06 g/cm3.
Particle size distribution
The particle size distribution of test chemical was determined by Granulometric analysis with Rotap sieve shaker. The particle size distribution was determined to be 150 micron.
Vapour pressure
On the basis of data from handbook, the vapor pressure of test chemical at various temperatures using ebulliometry. The experimental vapor pressure at 196°C was 59995 Pa and 101325 Pa at 219°C. The vapor pressure at 219°C was 101325 Pa (i.e atmospheric pressure), which indicates that the boiling point of test chemical was 219°C.
In a supporting study, the vapor pressure of test chemical at various temperatures using gas saturation. The experimental vapor pressure at 24.71°C was 3.640 Pa
Additional study from authoritative database indicates the vapor pressure of test chemical at 25°C as 11.9 Pa.
In a supporting study from reliable source, the Antoine Coefficients and Antoine equation were used to calculate the vapour pressure of test chemical. The calculated vapor pressure of test chemical was at 14.30°C, 4899852.651 Pa at 449.80°C.
MPBVP v1.43 was used to estimate the vapor pressure of test chemical. The estimated vapor pressure of test chemical at 25°C was 3.24 Pa
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 weighing 5 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.6. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were 4-Methoxyphenol, Phenol, Benzene, Biphenyl, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Allyl phenyl ether having Pow value ranging from 1.3 to 4.6 The Log Pow value was determined to be 2.115 ± 0.002 at 25°C.
In a supporting study from reliable sources, the experimental octanol water partition coefficient (logPow) of test chemical as 2.48
Additional study from handbook and authoritative databases suggests that the estimated octanol water partition coefficient (logPow) of test chemical as 2.61.
On the basis of available information, test chemical was considered to be hydrophilic in nature.
Water solubility
On the basis of available data from study report, 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 4331.5 mg/L at 30°C.
In a supporting study from handbook, the water solubility of test chemical was determined at various temperatures by Shake flask-UV method. The experimental water solubility of test chemical at 20°C was 3930 mg/l and 40000 mg/l at 150°C.
Additional study from authoritative database indicates the water solubility of test chemical as 4600 mg/l at 25°C.
On the basis of various reliable sources, test chemical was reported to be soluble in water.
In a supporting study, the water solubility of test chemical was determined to be 4570 mg/l at 25°C.
On the basis of available information, test chemical was considered to be soluble in water.
Surface tension
The study does not need to be conducted because surface activity is not a desired property of the material.
Flash point
On the basis of available data from study report, 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 98.6°C at 966.6hPa.
In a supporting study from authoritative database, the flash point value of test chemical was determined to be 95°C.
Additional study from reliable source indicates the flash point value of test chemical as in the range of 61 -95°C.
Thus, on the basis of criteria mentioned in CLP regulation, the chemical has flash point > 60°C hence the substance was considered to be not flammable.
Auto flammability
Based on the available data from authoritative database, the auto ignition temperature of test chemical was determined to be >500 °C.
In a supporting study from authoritative database, auto ignition temperature of test chemical was determined to be 599°C.
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.
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.
pH
On the basis of available data from study report, the pH of test chemical was determined. The study was performed in accordance with OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The mean pH of the 1% w/v test dispersion was determined with the help of digital pH meter. The mean pH was determined to be 4.49 at 25°C. Thus, test chemical was considered to be acidic in nature.
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