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EC number: 203-505-6 | CAS number: 107-58-4
Endpoint summary
Administrative data
Description of key information
Appearance/physical state/colour
On the basis of visual perception and olfactory property, N-tert-butylacrylamide was determine to be a white organic crystalline solid having no odor at 28°C and 975 hPa.
Melting point/freezing point
The melting point determination of test substance N-tert-butylacrylamide(CAS No. 107-58-4 ) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The melting point was determine to be in range of 126°C -130°C at 967.5hPa.
From other reliable sources, the meting point of the substance N-tert-butylacrylamide (CAS No. 107-58-4) was observed in the range of 128°C -130°C.
Boiling point
The boiling point determination of test substance N-tert-butylacrylamide (CAS No. 107-58-4) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determine to be greater than 240 °C at 978.5 hPa.
Density
The bulk density and tap density of N-tert-butylacrylamide (CAS No. 107-58-4) were determined to be 0.2857(g/cm3) and 0.3703(g/cm3), respectively, at 36°C.
Particle size distribution (Granulometry)
The particle size distribution of test substance N-tert-butylacrylamide(CAS No. 107-58-4) was determined by granulometric analysis with Rotap sieve shaker. The particle size distribution was determine to be in the range of 150 micron to 75 micron.
From other experimental report, the particle size distribution (granulometry) of N-tert-butylacrylamide by the sieve analysis method was determine to be in the range of 75 micrometer to 600 micrometer. Majority of the particles were determine to be in the size 150 (72.33%) - 75 (16.05%) micrometer in size.
Vapour pressure
The vapour pressure of N-tert-butylacrylamide was estimated to be 0.385 Pa at 25°C by using the Modified Grain method.
Partition coefficient
The partition coefficient (n-octanol/water) of test substance was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 1.450 dimensionless at 25°C.This value indicates that the substance is hydrophilic in nature.
Water solubility
The water solubility determination of test substance N-tert-butylacrylamide(CAS No.107-58-4) was done as per the shake flask method. The solubility N-tert-butylacrylamidewas determine to be 1000 mg/l 300C.
From other experimental report,water solubility of N-tert-butylacrylamide was determine to be 4000 mg/L at 28°C indicating that the substance is 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 N-tert-butylacrylamide in methanol at 28°C was determine to be 3800 mg/L indicating that the substance is soluble in methanol. Using the Soxhlet/Solvent extraction method the solubility of the substance in Petroleum ether is observed to be 3200 mg/L at 28°C, indicating that the substance is soluble in petroleum ether.
Surfacetension
In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of N-tert-butylacrylamide.
Flash point
The flash point determination of test substanceN-tert-butylacrylamide (CAS No.107-58-4) 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 determine to be greater than 200°C at 971.8 hPa.
Auto flammability
Test chemical N-tert-Butylacrylamide(CAS no.107-58-4) did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that N-tert-Butylacrylamide is not auto-flammable.
Flammability
From the experimental values of flammability, N-tert-butylacrylamide ignited when the flame of bunsen burner having temperature of 950°C was brought in contact with it. Thus it can be concluded that N-tert-butylacrylamide is flammable only at high temperature of about 950°C. However since such high temperatures are not determine under normal circumstances of transportation and use, N-tert-butylacrylamide was considered non-flammable for chemical safety assessment.
Explosiveness
According to theoretical considerations based on chemical structure, N-tert-butylacrylamide does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in N-tert-butylacrylamide. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidising properties
N-tert-butylacrylamide was not determine to have any oxidising property.
Stability in organic solvents and identity of relevant degradation products
N-tert-butylacrylamide was determine 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 N-tert-butylacrylamide (CAS No. 107-58-4) 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 be6.52 at 26.2 °C, indicating that the substance is slightly acidic in nature.
Dissociation constant
The average experimental pKa value for N-tert-butylacrylamide was determine to be 0.00000000023366 at 28°C
Viscosity
This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and N-tert-butylacrylamide is a solid substance and hence this testing was considered scientifically unjustified for N-tert-butylacrylamide.
Additional information
Appearance/physical state/color
On the basis of visual perception and olfactory property, N-tert-butylacrylamide was determine to be a white organic crystalline solid having no odor at 28°C and 975 hPa.
Melting point/freezing point
The melting point determination of test substance N-tert-butylacrylamide (CAS No. 107-58-4 ) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The melting point was determine to be in range of 126°C -130°C at 967.5hPa.
From other reliable sources, the meting point of the substance N-tert-butylacrylamide (CAS No. 107-58-4) was observed in the range of 128°C -130°C.
Boiling point
The boiling point determination of test substance N-tert-butylacrylamide (CAS No. 107-58-4) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determine to be greater than 240 °C at 978.5 hPa.
Density
The bulk density and tap density of N-tert-butylacrylamide (CAS No. 107-58-4) were determined to be 0.2857(g/cm3) and 0.3703(g/cm3), respectively, at 36°C.
Particle size distribution (Granulometry)
The particle size distribution of test substance N-tert-butylacrylamide(CAS No. 107-58-4) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 micron to 75 micron.
From other experimental report, the particle size distribution (granulometry) of N-tert-butylacrylamide by the sieve analysis method was determine to be in the range of 75 micrometer to 600 micrometer. Majority of the particles were determine to be in the size 150 (72.33%) - 75 (16.05%) micrometer in size.
Vapour pressure
The vapour pressure of N-tert-butylacrylamide was estimated to be 0.385 Pa at 25°C by using the Modified Grain method.
Partition coefficient
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. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.
The reference substances were Butanone, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4-Dichlorobenzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Dodecanoic acid,Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5
.The Log Pow value was determined to be1.450dimensionless at 25°C
This value indicates that the substance is hydrophilic in nature.
Water solubility
The water solubility determination of test substance N-tert-butylacrylamide(CAS No.107-58-4) was done as per the shake flask method. The solubility N-tert-butylacrylamide was determine to be 1000 mg/l 300C.
From other experimental report, water solubility of N-tert-butylacrylamide was determine to be 4000 mg/L at 28°C indicating that the substance is 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 N-tert-butylacrylamide in methanol at 28°C was determine to be 3800 mg/L indicating that the substance is soluble in methanol. Using the Soxhlet/Solvent extraction method the solubility of the substance in Petroleum ether is observed to be 3200 mg/L at 28°C, indicating that the substance is soluble in petroleum ether.
Surface tension
In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of N-tert-butylacrylamide.
Flash point
The flash point determination of test substanceN-tert-butylacrylamide (CAS No.107-58-4) 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 determine to be greater than 200°C at 971.8 hPa.
Auto flammability
Test chemical N-tert-Butylacrylamide(CAS no.107-58-4) did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that N-tert-Butylacrylamide is not auto-flammable.
Flammability
From the experimental values of flammability, N-tert-butylacrylamide ignited when the flame of Bunsen burner having temperature of 950°C was brought in contact with it. Thus it can be concluded that N-tert-butylacrylamide is flammable only at high temperature of about 950°C. However since such high temperatures are not determine under normal circumstances of transportation and use, N-tert-butylacrylamide was considered non-flammable for chemical safety assessment.
Explosiveness
According to theoretical considerations based on chemical structure, N-tert-butylacrylamide does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in N-tert-butylacrylamide. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidising properties
N-tert-butylacrylamide was not determine to have any oxidising property.
Stability in organic solvents and identity of relevant degradation products
N-tert-butylacrylamide was determine 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 N-tert-butylacrylamide (CAS No. 107-58-4 ) 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 be6.52 at 26.2 °C, indicating that the substance is slightly acidic in nature.
Dissociation constant
The average experimental pKa value for N-tert-butylacrylamide was determine to be 0.00000000023366 at 28°C
Viscosity
This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and N-tert-butylacrylamide is a solid substance and hence this testing was considered scientifically unjustified for N-tert-butylacrylamide.
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