Registration Dossier
Registration Dossier
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EC number: 204-442-7 | CAS number: 121-00-6
Endpoint summary
Administrative data
Description of key information
Additional information
Appearance/physical state/colour :On the basis of physical observation and using the sense of smell, tert-butyl-4-methoxyphenol was found to be a colourless odourless organic solid.
Melting point/freezing point :The melting point of tert-butyl-4-methoxyphenol by the capillary method was found to be 124.3 degC at an atmospheric pressure of 966 hPa . There was no decomposition observed of tert-butyl-4-methoxyphenol at the melting point.The other authoritative supporting sources of information also indicate the melting point of tert-butyl-4-methoxyphenol to be in the range 48 degC to 60 degC. However, for the purpose of the dossier as well as for the chemical safety report the experimental value of melting point will be considered. Melting point value at 101325 Pa works out to be 130.37 degC.
Boiling point :The boiling point of tert-butyl-4-methoxyphenol by the distillation method was found to be 197.9 degC at the atmospheric pressure of 966 hPa. No decomposition of tert-butyl-4-methoxyphenol was observed at the boiling point. The other authoritative sources of information though indicate the boiling point to be between 264 degC to 270 degC. However for the purpose of the dossier as well as for the chemical safety report, the boiling point of the key study which is 197.9 degC shall be considered.Boiling point value at 101325 Pa works out to be 207.57 degC.
Density :The bulk density of tert-butyl-4-methoxyphenol by the mass by volume method was found to be 0.666 g/cm3 at room temperature of 27 °C .This value when converted into 20 degC works out to be 0.493.
Particle size distribution (Granulometry) :The particle size distribution (granulometry) of tert-butyl-4-methoxyphenol by the sieve method was found to range from 75 micrometer to 1000 micrometer. Majority of the particles (36.61%) were 600 micrometer in size.
Vapour pressure :The estimated value for the vapor pressure of tert-butyl-4-methoxyphenol was determined to be 0.00234 mm Hg at 25 degC by means of Modified Grain Method.This value when converted into Pascal is equivalent to 0.311 Pascal (Pa).
Partition coefficient :The experimental value of octanol water partition co-efficient (Pow) of tert-butyl-4-methoxyphenol is 1 at 27 degC and pH of 3.37.This value indicates that tert-butyl-4-methoxyphenol is relatively hydrophobic in nature.
Water solubility :The experimental value of the water solubility of tert-butyl-4-methoxyphenol was found to be 3400 mg/L at 27 degC indicating that it is soluble in water.However at temperature of 25 degC, tert-butyl-4-methoxyphenol is considered to be moderately soluble in water as the supporting studies indicate. Thus, for the purpose of the dossier and chemical safety report, tert-butyl-4-methoxyphenol will be considered to be soluble in water.
Solubility in organic solvents / fat solubility :Gravimetric method was used to determine the solubility of the substance in organic solvent. The experimental value of solubility of tert-butyl-4-methoxyphenol in ethanol at 27 degC was found to be 4000 mg/L indicating that this substance is slightly soluble in ethanol.Using the Soxhlet/Solvent extraction method the solubility of the substance in Petroleum ether is observed to be 1300 mg/L at 27 °C.
Surface tension : In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this study does not need to be conducted if, based on structure, surface activity is not expected and no surface-active properties would be predicted for this compound. Surface activity is not a desired property of the material.
Flash point :The flash point of a substance is the lowest temperature at which it can form an ignitable mixture in air. The experimental value of flash point of tert-butyl-4-methoxyphenol by the closed cup method was found to be 142.1 degC at 966 hPa.This value when converted into 101 325 pascal is equivalent to 149.05 degC.
Auto flammability :Tert-butyl-4-methoxyphenol did not catch fire on being exposed to air at room temperature of 27 degC and atmospheric pressure of 966 hPa. This indicates that tert-butyl-4-methoxyphenol is not auto-flammable.
Flammability :From the experimental values of flammability, tert-butyl-4-methoxyphenol ignited when the flame of bunsen burner having temperature of 950 degC was brought in contact with it. Thus it can be concluded that tert-butyl-4-methoxyphenol is flammable only at high temperature of about 950 degC. However since such high temperatures are not found under normal circumstances of transportation and use, tert-butyl-4-methoxyphenol was considered non-flammable for chemical safety assessment.
Explosiveness :According to theoretical considerations based on chemical structure, tert-butyl-4-methoxyphenol does not possess explosive properties. The reason for these is there are no chemical groups associated with explosive properties in tert-butyl-4-methoxyphenol. Thus, as per column 2 of Annex VII this information is not required.
Oxidising properties :Tert-butyl-4-methoxyphenol was found to be oxidising since 243.1 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of tert-butyl-4-methoxyphenol.
Stability in organic solvents and identity of relevant degradation products :Tert-butyl-4-methoxyphenol 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 :1% by volume solution of tert-butyl-4-methoxyphenol was found to exhibit a pH of 4.02 at 27 degC. Thus 1% by volume solution of tert-butyl-4-methoxyphenol is relatively acidic in pH.
Dissociation constant :The experimental pKa value for tert-butyl-4-methoxyphenol was found to be 0.000164, 0.000165 and 0.000173 at 27 degC indicating that it has dissociation properties.This value when converted at 20 degC is equivalent to 0.00012.
Viscosity :This end point was considered for waiver since viscosity is an internal property of a liquid that offers resistance to flow and tert-butyl-4-methoxyphenol is a solid substance and hence this testing was considered scientifically unjustified for tert-butyl-4-methoxyphenol.
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