Registration Dossier
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EC number: 202-261-8 | CAS number: 93-60-7
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation ,the chemical Methyl nicotinate was observed to be white coloured granules in appearance.
Melting point:
The melting point determination of Methyl nicotinate (CAS No. 93-60-7) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and Mean melting temperature range was determined to be 39-41.5°C at 971.0hPa.
Boiling point:
The boiling point determination of Methyl nicotinate (CAS No. 93-60-7) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 200.6°C at 970.9 hPa.
Density:
The density of test item Methyl nicotinate (CAS No. 93-60-7)was determined following OECD Guideline 109 and according to theTest methods: Pour density and tapped density of powders” recommended in The International Pharmacopoeia, Fourth Edition, 2014. using bulk density apparatus .The mean pour density and tapped density of test item was determined to be 0.8269 g/cm³ and0.9665 g/cm³at 26.5°C and 970.7 hPa.
Particle Size Distribution:
The particle size distribution of test item Methyl nicotinate (CAS No. 93-60-7 ) was determined by granulometric analysis with rotap sieve shaker. The particle size of methyl nicotinate was determined to be 150micron .
Vapor Pressure:
Data from various authoritative and modelling databases suggests that the estimated vapour pressure of methyl nicotinate at 25 deg C lies in the range of 25 to 36.93 Pa.
Partition Coefficient:
The partition Coefficient n-octanol/water of Methyl nicotinate(CAS No.93-60-7) 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 functional group similarity with the test substance and calibration graph was prepared. The reference substances were benzene, methyl benzoate, toluene, ethylbenzene and allyl phenyl ether having Pow value ranging from 2.1 to 3.2. The Log Pow value was determined to be 0.6810 ± 0.0041 at 25°C.
Data from various handbooks and authoritative databases suggests that the experimental log Pow of methyl nicotinate was 0.83.
The experimental values indicate that methyl nicotinate is hydrophillic in nature.
Water Solubility:
The water solubility determination of test item Methyl nicotinate (CAS No. 93-60-7) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of Methyl nicotinate (93-60-7) in water was determined to be 2295832 mg/L at 29°C.
Data from handbooks and authoritative databases suggests that the experimental solubility of methyl nicotinate in water at 20 deg C was 47600 mg/l.
These values indicate that methyl nicotinate is highly soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for Methyl nicotinate was predicted to be 41.6 ± 3.0 dyne/cm.
Flash point:
The flash point determination of Methyl nicotinate (CAS No. 93-60-7)was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determined to be 90.3°C at 970.6hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the substance was considered to be non-flammable.
Autoflammability:
Methyl nicotinatedid not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates thatMethyl nicotinateis not auto-flammable.
Flammability:
Methyl nicotinate 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 nicotinate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Methyl nicotinate 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 there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied
pH:
The pH determination of test item Methyl nicotinate (CAS No 93-60-7) was done following OECD guideline122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 5.64 at 27 °C.
Additional information
Appearance:
On the basis of physical observation ,the chemical Methyl nicotinate was observed to be white coloured granules in appearance.
Other supporting studies from various reliable sources such as authoritative database and handbook also indicates that the chemical methyl nicotinate was observed to be crystalline solid in appearance.
Melting point:
The melting point determination of Methyl nicotinate (CAS No. 93-60-7) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and Mean melting temperature range was determined to be 39-41.5°C at 971.0hPa.
Other supporting studies from various reliable sources such as authoritative database and handbook also indicates that the melting point of chemical methyl nicotinate was determined to be in the range of 36 degree C to 43 degree C.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of melting point temperature as 39 degree C thus considered as key study for the chemical safety assessment
Boiling point:
The boiling point determination of Methyl nicotinate (CAS No. 93-60-7) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 200.6°C at 970.9 hPa.
Other supporting studies from various reliable sources such as authoritative database and handbook also indicates that the boiling point of chemical methyl nicotinate was determined to be in the range of 204 degree C to 209 degreeC.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of boiling point temperature as 200.6 degree C thus considered as key study for the chemical safety assessment
Density:
The density of test item Methyl nicotinate (CAS No. 93-60-7)was determined following OECD Guideline 109 and according to theTest methods: Pour density and tapped density of powders” recommended in The International Pharmacopoeia, Fourth Edition, 2014. using bulk density apparatus .The mean pour density and tapped density of test item was determined to be 0.8269 g/cm³ and0.9665 g/cm³at 26.5°C and 970.7 hPa.
Other supporting study from authoritative database indicaes that the density of chemical methyl nicotinate was determined to be 1.0048 at 20 deg C
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density as 0.8269 (pour density) and 0.9665 g/cm3 (tap density) thus considered as key study for the chemical safety assessment
Particle Size Distribution:
The particle size distribution of test item Methyl nicotinate (CAS No. 93-60-7 ) was determined by granulometric analysis with rotap sieve shaker. The particle size of methyl nicotinate was determined to be 150micron .
Vapor Pressure:
Data from various authoritative and modelling databases suggests that the estimated vapour pressure of methyl nicotinate at 25 deg C lies in the range of 25 to 36.93 Pa.
Partition Coefficient:
The partition Coefficient n-octanol/water of Methyl nicotinate(CAS No.93-60-7) 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 functional group similarity with the test substance and calibration graph was prepared. The reference substances were benzene, methyl benzoate, toluene, ethylbenzene and allyl phenyl ether having Pow value ranging from 2.1 to 3.2. The Log Pow value was determined to be 0.6810 ± 0.0041 at 25°C.
Data from various handbooks and authoritative databases suggests that the experimental log Pow of methyl nicotinate was 0.83.
The experimental values indicate that methyl nicotinate is hydrophillic in nature.
Water Solubility:
The water solubility determination of test item Methyl nicotinate (CAS No. 93-60-7) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of Methyl nicotinate (93-60-7) in water was determined to be 2295832 mg/L at 29°C.
Data from handbooks and authoritative databases suggests that the experimental solubility of methyl nicotinate in water at 20 deg C was 47600 mg/l.
These values indicate that methyl nicotinate is highly soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for Methyl nicotinate was predicted to be 41.6 ± 3.0 dyne/cm.
Flash point:
The flash point determination of Methyl nicotinate (CAS No. 93-60-7)was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determined to be 90.3°C at 970.6hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the substance was considered to be non-flammable.
Autoflammability:
Methyl nicotinatedid not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates thatMethyl nicotinateis not auto-flammable.
Flammability:
Methyl nicotinate 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 nicotinate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Methyl nicotinate 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 there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied
pH:
The pH determination of test item Methyl nicotinate (CAS No 93-60-7) was done following OECD guideline122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 5.64 at 27 °C.
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