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EC number: 219-546-8 | CAS number: 2459-09-8
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, Methyl isonicotinate was observed to be a clear brown liquid
Melting point:
The Mean Freezing point of Methyl isonicotinate; CAS No. 2459-09-8 was determined with cooling curve method and it was determine to be -7.48 °C at 969.4 hPa.
Boiling Point:
The boiling point determination of Methyl isonicotinate (CAS No. 2459-09-8) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determine to be 201.3°C at 970.4 hPa.
Density:
The density of test item Methyl isonicotinate (CAS No. 2459-09-8)was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) usingglass pyknometer . The mean density of test item was determine to be 1.1574 g/cm³at 20°C and 971.0 hPa.
Particle size distribution:
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form. On the basis of physical observation and using the sense of smell, Methyl isonicotinate was observed to be a clear brown liquid.
Vapour pressure:
The estimated vapour pressure of Methyl isonicotinate at 25 deg C was 32.2 Pa.
Partition coefficient:
The partition Coefficient n-octanol/water of chemical Methyl Isonicotinate (CAS No. 2459 -09 -8) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals (Sustainability Support Service (Europe) AB, Report no. UERL/PC/013-03, 2017). A test item solution was prepared by accurately pipetting 4 microlitre of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 464.4 mg/l(calculated according to its density). The pH of test substance was 7.4. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared was prepared. The reference substances were Biphenyl, Methyl benzoate, Benzyl Benzoate, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Allyl phenyl ether having Pow value ranging from 2.1 to 4.6. The Log Pow value was determined to be 0.464±0.001 at 25°C.On the basis of this value, the test substance Methyl isonicotinate can be considered to be hydrophilic in nature.
Water solubility:
The estimated water solubility of Methyl isonicotinate at 25 deg C was 15550 mg/l.
Surface tension:
Based on the data from ACD labs, surface tension for test item Methyl isonicotinate was predicted to be 0.0416 N/m.
Flash point:
The flash point determination of Methyl isonicotinate (CAS No. 2459-09-8)was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determine to be 81°C at 970.0hPa.
Auto flammability:
Methyl isonicotinate did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Methyl isonicotinate is not auto-flammable.
Flammability:
Methyl isonicotinate 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 isonicotinate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Methyl isonicotinate 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 organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test item Methyl isonicotinate (CAS No. 2459-09-8 ) was done as per the test guideline OECD 122. The mean pH of the test solutionwas determined with the help of digital pH meter. The mean pH was observed to be 5.63 at 30.3 °C.
Viscosity:
Kinematic viscosity (experimental) of Methyl isonicotinate ( CAS No. 2459-09-8) at 20°C and 40°C is 20.9950 mm²/sec and 16.1832 mm²/s, respectively.
Dynamic viscosity (calculated) of Methyl isonicotinate( CAS No. 2459-09-8) at 20°C and 40°C is 24.2996 mPa.S and 18.7304 mPa.S, respectively.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, Methyl isonicotinate was observed to be a clear brown liquid.
From other reliable sources it is concluded that chemical Methyl Isonicotinate physically appear as a liquid.
Melting point:
The Freezing point determination of Methyl isonicotinate(CAS No. 2459-09-8) was done using crushed ice and salt . The determination was done on the basis of cooling curve (time vs temperature) obtained when the test item was placed in the cooling bath.
The freezing point was determine to be -7.48°C at 969.4 hPa.
Boiling Point:
The boiling point determination of Methyl isonicotinate (CAS No. 2459-09-8) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determine to be 201.3°C at 970.4 hPa.
From other reliable sources it is concluded that boiling point of Methyl isonicotinate concluded in the range of 207 to 209 Deg C which is near to key value.
Density:
The density of Test item Methyl isonicotinate (CAS No. 2459-09-8 ) was determined followingOECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]. The mean density of the test item was determine to be 1.1574 g/cm³at 20°C and 971.0 hPa.
From other reliable sources it is concluded that density of Methyl isonicotinate is in the range of 1.001 to 1.1599 g/cm3 at temperature 20 Deg C
Particle size distribution:
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form. On the basis of physical observation and using the sense of smell, Methyl isonicotinate was observed to be a clear brown liquid.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of Methyl isonicotinate using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of Methyl isonicotinate at 25 deg C was 32.2 Pa.
From other authorative databases vapour pressure of given compound Methyl isonicotinate concluded to be 36.9 Pa at temperature 25 Deg C.
Partition coefficient:
Based on the available data in a key study from UERL study report,the partition Coefficient n-octanol/water of chemical Methyl Isonicotinate (CAS No. 2459 -09 -8) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately pipetting 4 microlitre of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 464.4 mg/l(calculated according to its density). The pH of test substance was 7.4. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared was prepared. The reference substances were Biphenyl, Methyl benzoate, Benzyl Benzoate, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Allyl phenyl ether having Pow value ranging from 2.1 to 4.6. The Log Pow value was determined to be 0.464±0.001 at 25°C.On the basis of this value, the test substance Methyl isonicotinate can be considered to be hydrophilic in nature.
In a supportingstudy from authoritative and modelling databases, the partition coefficient (log Pow) value of the substance Methyl Isonicotinate was determined to be 0.87.
Thus, based on the available information, the logPow value of the test substance Methyl Isonicotinate ranges from 0.464 to 0.87, respectively. On the basis of this value, chemical Methyl Isonicotinate be considered to be hydrophilic in nature.
Water solubility:
The estimated water solubility of Methyl isonicotinate at 25 deg C was 15550 mg/l.
Based on the estimated value, Methyl isonicotinate was very soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for test item Methyl isonicotinate was predicted to be 0.0416 N/m.
Flash point:
The flash point determination of Test item Methyl isonicotinate (CAS No. 2459-09-8 )was done. The method was closed cup method using Pensky-Martens Flash Point Apparatus. The meanflash point of the test item was determine to be 81°C at 970.0 hPa.
From other reliable sources it is concluded that Flash point of Methyl Isonicotinate is 82.22 C which is near to key value.
Auto flammability:
Methyl isonicotinate did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Methyl isonicotinate is not auto-flammable.
Flammability:
Methyl isonicotinate 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 isonicotinate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Methyl isonicotinate 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 organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test item Methyl isonicotinate (CAS No. 2459-09-8 ) was done as per the test guideline OECD 122. The mean pH of the test solutionwas determined with the help of digital pH meter. The mean pH was observed to be 5.63 at 30.3 °C.
Viscosity:
The viscosity determination of Test item Methyl isonicotinate (CAS No. 2459 -09 -8 ) was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of Test item at 20°C and 40°C is 20.9950 mm²/sec and 16.1832 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 24.2996 mPa.S and 18.7304 mPa.S, respectively.
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