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EC number: 217-752-2 | CAS number: 1948-33-0
Endpoint summary
Administrative data
Description of key information
Appearance/ physical state/ color:
On the basis of physical observation and using the sense of smell, 2-tert-butylhydroquinone was found to be a white colourled organic solid in powder form with characteristic odour.
Melting point/ freezing point:
The melting point determination of Test item 2-tert-butylhydroquinone (CAS No. 1948-33-0 ) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean Melting temperature range was found to be 104-107.3°C at 972.2 hPa.
Boiling Point:
Boiling point of 2-tert-butylhydroquinone is reported to be 295°C.
No decomposition of 2-tert-butylhydroquinone was observed at the boiling point.
Density:
The density of Test item 2-tert-butylhydroquinone (CAS No. 1948- 33-0 ) was determined following OECD guideline 109 and according to the method adapted from ASTM D 854-02. The mean density of the test item was found to be 0.7854 g/cm³at 20°C and 980.9 hPa.
From other experimental reports, the bulk density of 2-tert-butylhydroquinone is determined to be 0.806 g/cm³ at 30°C.
Also from other reliable sources, density of 2-tert-butylhydroquinone is observed to be 1.05 g/cm³ at 20°C
Particle size distribution (Granulometry):
The particle size distribution of test item 2-tert-butylhydroquinone (CAS No. 1948-33-0 ) 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.
From other experimental reports, the particle size distribution (granulometry) of 2 -tert-butylhydroquinone by the sieve method was found to range from 75 micro meter to 710 micrometer. Majority of the particles (77%) were between 180 to 500 micrometer range.
Vapour pressure:
Vapour pressure of the substance t-Butylhydroquinone is determined to be 3.2E-5 mmHg at 25 degree C. This value equals to 0.00426 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 substances were 4-Methoxyphenol, Phenol, Benzene, Biphenyl, Toluene, Ethylbenzene, Naphthalene, Allyl phenyl ether, n-Butylbenzene were
chosen having log Pow range from 1.3 to 4.
The Log Pow value was determined to be 1.521 ± 0.003dimensionless at 25°C.
This value indicates that the substance is hydrophilic in nature.
Water solubility:
The water solubility determination of test item 2-tert-butylhydroquinone;CAS No.1948-33-0 was done by spectrophotometric method. The water solubility was found to be 2887.35 mg/L at 25°C.
From othher experimental report, water solubility of 2-tert-butylhydroqunone alcohol was determined as 2000 mg/l at 30°C .
Hence, from both experimental reports, it is considered that the substance t-Butylhydroquinone is soluble in water.
Solubility in organic solvents:
The solubility of 2-tert-butylhydroquinone in methanol and petroleum ether is 3000 mg/L at 30°C
Surface tension:
The surface tension of 2-tert-butylhydroquinone is estimated as 40.255 mN/m
Flash point:
The study does not need to be conducted because flash point is only relevant to liquids and low melting point solids.
Autoflammability:
2-tert-butylhydroquinone did not catch fire on being exposed to air at room temperature of 30 °C and atmospheric pressure of 960 hPa. This indicates that 2-tert-butylhydroquinone is not auto-flammable.
Flammability:
From the experimental value of flammability, 2-tert-butylhydroquinone ignited when the flame of bunsen burner having temperature of 950°C was brought in contact with it. Thus, it can be concluded that this substance is flammable only at high temperature of about 950°C. However, since such high temperatures are not found under normal circumstances of transportation and use, 2-tert-butylhydroquinone was considered non-flammable.
Explosiveness:
In accordance with column 2 adaptation statement of REACH Annex VII, information requirement 7.11, this testing was not conducted since there are no chemical groups in 2-tert-butylhydroquinone, associated with explosive properties.
Oxidising properties:
According to redox titration considerations, 2-tert-butylhydroquinone end point of the redox titration was obtained at 312.6 ml KmnO4/100g of analyte 2 -tert-butylhydroquinone..2-tert-butylhydroquinone was not found to exhibit oxidising property.
Stability in organic solvents:
2-tert-butylhydroquinone was found to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.
pH:
The pH determination of test item 2-tert-butylhydroquinone (CAS No 1948-33-0) was done following OECD guideline 122. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 4.50 at 28 °C.
From other reliable experimental reports, it is observed that, the pH value of a 1% solution of 2-tert-butylhydroquinone is 4.56 at 25°C indicating that the substance is relatively acidic.
Dissociation constant:
The experimental pKa value for 2-tert-butylhydroquinone was found to be 0.126 E-6 at 30 °C indicating that it has dissociation properties. This value when converted at 20 °C is equivalent to 0.84 E-7.
Viscosity:
This end point was considered for waiver since viscosity is an internal property of a liquid that offers resistance to flow and 2-tert-butylhydroquinone is a solid substance and hence this testing was considered scientifically unjustified for 2-tert-butylhydroquinone.
Additional information
Appearance/ physical state/ color:
On the basis of physical observation and using the sense of smell, 2-tert-butylhydroquinone was found to be a white colourled organic solid in powder form with characteristic odour.
Melting point/ freezing point:
The melting point determination of Test item 2-tert-butylhydroquinone (CAS No. 1948-33-0 ) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean Melting temperature range was found to be 104-107.3°C at 972.2 hPa.
Boiling Point:
Boiling point of 2-tert-butylhydroquinone is reported to be 295°C.
No decomposition of 2-tert-butylhydroquinone was observed at the boiling point.
Density:
The density of Test item 2-tert-butylhydroquinone (CAS No. 1948- 33-0 ) was determined following OECD guideline 109 and according to the method adapted from ASTM D 854-02. The mean density of the test item was found to be 0.7854 g/cm³at 20°C and 980.9 hPa.
From other experimental reports, the bulk density of 2-tert-butylhydroquinone is determined to be 0.806 g/cm³ at 30°C.
Also from other reliable sources, density of 2-tert-butylhydroquinone is observed to be 1.05 g/cm³ at 20°C
Particle size distribution (Granulometry):
The particle size distribution of test item 2-tert-butylhydroquinone (CAS No. 1948-33-0 ) 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.
From other experimental reports, the particle size distribution (granulometry) of 2 -tert-butylhydroquinone by the sieve method was found to range from 75 micro meter to 710 micrometer. Majority of the particles (77%) were between 180 to 500 micrometer range.
Vapour pressure:
Vapour pressure of the substance t-Butylhydroquinone is determined to be 3.2E-5 mmHg at 25 degree C. This value equals to 0.00426 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 substances were 4-Methoxyphenol, Phenol, Benzene, Biphenyl, Toluene, Ethylbenzene, Naphthalene, Allyl phenyl ether, n-Butylbenzene were
chosen having log Pow range from 1.3 to 4.
The Log Pow value was determined to be 1.521 ± 0.003dimensionless at 25°C.
This value indicates that the substance is hydrophilic in nature.
Water solubility:
The water solubility determination of test item 2-tert-butylhydroquinone;CAS No.1948-33-0 was done by spectrophotometric method. The water solubility was found to be 2887.35 mg/L at 25°C.
From othher experimental report, water solubility of 2-tert-butylhydroqunone alcohol was determined as 2000 mg/l at 30°C .
Hence, from both experimental reports, it is considered that the substance t-Butylhydroquinone is soluble in water.
Solubility in organic solvents:
The solubility of 2-tert-butylhydroquinone in methanol and petroleum ether is 3000 mg/L at 30°C
Surface tension:
The surface tension of 2-tert-butylhydroquinone is estimated as 40.255 mN/m
Flash point:
The study does not need to be conducted because flash point is only relevant to liquids and low melting point solids.
Autoflammability:
2-tert-butylhydroquinone did not catch fire on being exposed to air at room temperature of 30 °C and atmospheric pressure of 960 hPa. This indicates that 2-tert-butylhydroquinone is not auto-flammable.
Flammability:
From the experimental value of flammability, 2-tert-butylhydroquinone ignited when the flame of bunsen burner having temperature of 950°C was brought in contact with it. Thus, it can be concluded that this substance is flammable only at high temperature of about 950°C. However, since such high temperatures are not found under normal circumstances of transportation and use, 2-tert-butylhydroquinone was considered non-flammable.
Explosiveness:
In accordance with column 2 adaptation statement of REACH Annex VII, information requirement 7.11, this testing was not conducted since there are no chemical groups in 2-tert-butylhydroquinone, associated with explosive properties.
Oxidising properties:
According to redox titration considerations, 2-tert-butylhydroquinone end point of the redox titration was obtained at 312.6 ml KmnO4/100g of analyte 2 -tert-butylhydroquinone..2-tert-butylhydroquinone was not found to exhibit oxidising property.
Stability in organic solvents:
2-tert-butylhydroquinone was found to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.
pH:
The pH determination of test item 2-tert-butylhydroquinone (CAS No 1948-33-0) was done following OECD guideline 122. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 4.50 at 28 °C.
From other reliable experimental reports, it is observed that, the pH value of a 1% solution of 2-tert-butylhydroquinone is 4.56 at 25°C indicating that the substance is relatively acidic.
Dissociation constant:
The experimental pKa value for 2-tert-butylhydroquinone was found to be 0.126 E-6 at 30 °C indicating that it has dissociation properties. This value when converted at 20 °C is equivalent to 0.84 E-7.
Viscosity:
This end point was considered for waiver since viscosity is an internal property of a liquid that offers resistance to flow and 2-tert-butylhydroquinone is a solid substance and hence this testing was considered scientifically unjustified for 2-tert-butylhydroquinone.
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