Registration Dossier
Registration Dossier
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EC number: 212-606-4 | CAS number: 831-59-4
Endpoint summary
Administrative data
Description of key information
Appearance/physical state/colour:
On the basis of physical observation, test chemical was observed to be a cream colored organic solid compound in powdered form.
Melting point/freezing point:
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 greater than 400 °C at 968.8 hPa.
Boiling point:
The study does not need to be conducted because the substance is a solid which melts above 300°C.
Density:
The density of Test item was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014. The mean pour density and tapped density of the test item was determine to be 0.5888 g/cm³ and 0.7847 g/cm³at 29 °C and 968.9 hPa.
Particle Size Distribution:
The particle size distribution of test substance was determined by Granulometric analysis with Rotap sieve shaker. The particle size distribution was found to be in the range of 150 micron to 25 micron.
Vapor Pressure:
MPBPVP (v1.43) was used to estimate the vapor pressure of disodium benzene-1,3-disulfonate. The estimated vapor pressure of disodium benzene-1,3-disulfonate at 25 deg C was 7.91E-012 Pa.
Partition Coefficient:
The partition coefficient of test substance was determined as per the shake flask method (OECD Guideline-107). The log Pow value was determined to be -1.901±0.278 at 25 °C temperature.
Water Solubility:
The water solubility determination of test item 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 723040 mg/L at 25°C.
Thus the test chemical is considered to be very soluble.
Surface tension:
In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. The disodium benzene-1,3 disufonate (831-59-4) is used as a pharmaceutical intermediate. For this use, surface activity is not an important property. Hence this study was considered for waiver.
Flash point:
The flash point of test chemical is 99 °C at 968.8 hPa.
Autoflammability:
Disodium 1,3-benzenedisulfonate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that Disodium 1,3-benzenedisulfonate is not auto-flammable.
Flammability:
Disodium 1,3-benzenedisulfonate 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 Disodium 1,3-benzenedisulfonate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Disodium 1,3-benzenedisulfonate 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 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:
The pH determination of test item 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 determine to be 6.69 at 25.4 °C.
Viscosity:
The study does not need to be conducted because the substance is a solid.
Additional information
Appearance/physical state/colour:
Based on the key study from study report,On the basis of physical observation, test chemical was observed to be a cream colored organic solid compound in powdered form.
Based on available data from authoritative database,the chemical Disodium benzene-1,3-disulphonate was observed to be to be a odourless beige coloured organic solid in appearance.
Other supporting studies from various authoritative databases also suggests that the chemical disodium benzene-1,3-disulphonate was observed to be a Off-white or tan coloured organic solid granules or dry powder in appearance.
Melting point/freezing point:
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 greater than 400 °C at 968.8 hPa.
Boiling point:
The study does not need to be conducted because the substance is a solid which melts above 300°C
Density:
Based on the key study from study report,The density of Test item was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014 . The mean pour density and tapped density of the test item was determine to be 0.5888 g/cm³ and 0.7847 g/cm³at 29 °C and 968.9 hPa.
Based on available data from authoritative database the bulk density of the substance disodium benzene-1,3-disulphonate was determined to be 860 kg/m³.
Particle Size Distribution:
The particle size distribution of test substance was determined by Granulometric analysis with Rotap sieve shaker. The particle size distribution was found to be in the range of 150 micron to 25 micron.
Vapor Pressure:
MPBPVP (v1.43) was used to estimate the vapor pressure of disodium benzene-1,3-disulfonate. The estimated vapor pressure of disodium benzene-1,3-disulfonate at 25 deg C was 7.91E-012 Pa.
Partition Coefficient:
The Partition coefficient (Pow) of test chemical at 25°C was estimated according to the OECD Guideline No. 107,”Shake Flask Method”.In this method the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, from the measured concentration of test chemical in the organic and aqueous phases.The log Pow value was determined to be -1.901±0.278 at 250C temperature.
By considering this log Pow value it can be concluded that test chemical is hydrophilic in nature and it is also supported by high water solubility of test chemical in water.
Water Solubility:
The water solubility determination of test item 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 723040 mg/L at 25°C.
Thus the test chemical is considered to be very soluble.
Data from authoritative database,a study was performed to determine the solubility of disodium benzene-1,3-disulphonate in water at 20deg C. The solubility of disodium benzene-1,3-disulphonate in water at 20 deg C was determined to be 663000 mg/l. This value indicates that disodium benzene-1,3-disulphonate is highly soluble in water.
Surface tension:
In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. The disodium benzene-1,3 disufonate (831-59-4) is used as a pharmaceutical intermediate. For this use, surface activity is not an important property. Hence this study was considered for waiver.
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 found to be 99°C at 968.8 hPa.
Autoflammability:
Disodium 1,3-benzenedisulfonate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that Disodium 1,3-benzenedisulfonate is not auto-flammable.
Flammability:
Disodium 1,3-benzenedisulfonate 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 Disodium 1,3-benzenedisulfonate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Disodium 1,3-benzenedisulfonate 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 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:
The pH determination of test item 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 determine to be 6.69 at 25.4 °C.
Viscosity:
The study does not need to be conducted because the substance is a solid
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