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Registration Dossier
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EC number: 258-237-2 | CAS number: 52888-49-0
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, Methyl N-(2,6-dimethylphenyl)-DL-alaninate was observed to be a solid.
Melting point:
Based on prediction done using MPBPVP v1.43, the melting point of Methyl N-(2,6-dimethylphenyl)-DL-alaninate was estimated to be 69.25 Deg C.
Boiling Point:
Boiling point of chemical methyl N-(2,6-dimethylphenyl)-DL-alaninate is determine to be 110 Deg C.
Density:
Based on prediction done using ACD/I-Lab 2.0,the density of Methyl N-(2,6-dimethylphenyl)-DL-alaninate was estimated to be 1.063 g/cm3 at temperature 20 Deg C.
Particle size distribution:
The particle size distribution of Methyl N-(2,6-dimethylphenyl)-DL-alaninate was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.
Vapour pressure:
The estimated vapour pressure of Methyl N-(2,6-dimethylphenyl)-DL-alaninate at 25 deg C was 0.177 Pa.
Partition coefficient:
Based on the available data from modeling databases using the KOWWIN V1.68 programme, octanol water partition coefficient (log Pow) value of the test substance 2 -(2,6 -dimethyl- phenylamino)-propionic acid methyl ester was estimated to be 2.68. Thus, on the basis of logPow value, chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester can be considered to be hydrophilic in nature.
Water solubility:
The estimated water solubility of Methyl N-(2,6-dimethylphenyl)-DL-alaninate at 25 deg C was 208.1 mg/l.
Surface tension:
Based on the data from ACD labs, surface tension for Methyl N-(2,6-dimethylphenyl)-DL-alaninate was predicted to be 0.0377 N/m.
Flash point:
The flash point of Methyl N-(2,6-dimethylphenyl)-DL-alaninate is greater than 130 °C at 980.9 hPa.
Auto flammability:
Methyl N-(2,6-dimethylphenyl)-DL-alaninate did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Methyl N-(2,6-dimethylphenyl)-DL-alaninate is not auto-flammable.
Flammability:
Methyl N-(2,6-dimethylphenyl)-DL-alaninate 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 Methyl N-(2,6-dimethylphenyl)-DL-alaninate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Methyl N-(2,6-dimethylphenyl)-DL-alaninate 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.
Oxidizing properties:
The study does not need to be conducted because the substance is a solid.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, Methyl N-(2,6-dimethylphenyl)-DL-alaninate was observed to be a solid.
Melting point:
Based on the prediction done using the EPI Suite MPVPBP V1.43,the melting point of Methyl N-(2,6-dimethylphenyl)-DL-alaninate was predicted.
The melting point of Methyl N-(2,6-dimethylphenyl)-DL-alaninate was estimated to be 69.25˚C.
Boiling Point:
Boiling point of chemical methyl N-(2,6-dimethylphenyl)-DL-alaninate is determine to be 110 Deg C.
From other authorative databases it is concluded that boiling point of chemical methyl N-(2,6 -dimethylphenyl)-DL-alaninate is in range in between 98 to 100 Deg C.
Density:
Based on prediction done using ACD/I-Lab 2.0,the density of Methyl N-(2,6-dimethylphenyl)-DL-alaninate was estimated to be 1.063 g/cm3 at temperature 20 Deg C.
Particle size distribution:
The particle size distribution of Methyl N-(2,6-dimethylphenyl)-DL-alaninate was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of Methyl N-(2,6-dimethylphenyl)-DL-alaninate using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of Methyl N-(2,6-dimethylphenyl)-DL-alaninate at 25 Deg C was 0.177 Pa.
Partition coefficient:
Based on the available data in a key study from modeling databases using the KOWWIN V1.68 programme, octanol water partition coefficient (log Pow) value of the test substance 2 -(2,6 -dimethyl-phenylamino)-propionic acid methyl ester was estimated to be 2.68.
In a supportingstudy from modelling database,the partition coefficient (log Pow) value of the substance 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester was estimated to be 2.52 ± 0.28.
Thus, based on the available information, the logPow valueof the test chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester ranges from 2.52 to 2.68, respectively. On the basis of this value, chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester can be considered to be hydrophilic in nature.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of Methyl N-(2,6-dimethylphenyl)-DL-alaninate.
The estimated water solubility of Methyl N-(2,6-dimethylphenyl)-DL-alaninate at 25 deg C was 208.1 mg/l.
Based on the estimated value, Methyl N-(2,6-dimethylphenyl)-DL-alaninate was moderately soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for Methyl N-(2,6-dimethylphenyl)-DL-alaninate was predicted to be 0.0377 N/m.
Flash point:
The flash point determination of Methyl N-(2,6-dimethylphenyl)-DL-alaninate 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 Methyl N-(2,6-dimethylphenyl)-DL-alaninate was determine to be greater than 130°C at 980.9 hPa.
Auto flammability:
Methyl N-(2,6-dimethylphenyl)-DL-alaninate did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Methyl N-(2,6 -dimethylphenyl)-DL-alaninate is not auto-flammable.
Flammability:
Methyl N-(2,6-dimethylphenyl)-DL-alaninate 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 Methyl N-(2,6-dimethylphenyl)-DL-alaninate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Methyl N-(2,6-dimethylphenyl)-DL-alaninate 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.
Oxidizing properties:
The study does not need to be conducted because the substance is a solid.
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