Methyl N-methylanthranilate

Endpoint summary

Description of key information

Appearance / physical state / colour

On the basis of physical observation and using the sense of smell, methyl-N-methylanthranilate (CAS No. 85-91-6) was observed to be a clear colourless liquid.

 

Melting point / freezing point

The Freezing point of methyl-N-methylanthranilate; CAS No. 85-91-6 was determined with Freezing Temperature Method and it was determine to be less than -14.74 °C at 978.1 hPa.

 

Boiling point

The boiling point determination of test item methyl-N-methylanthranilate (CAS No. 85-91-6 ) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was determine to be 256.3°C at 977.7 hPa.

 

Density

The mean density of test item methyl-N-methylanthranilate (CAS No. 85 -91-6 ) was determine to be 1.123 g/cm³ at 20°C and 977.8 hPa.

 

Particle size distribution (Granulometry)

In accordance with column 2 of Annex VII of the REACH regulation, the study does not need to be conducted if the substance is marketed or used in a non solid or granular form. The substance methyl N-methylanthranilate is a liquid and hence garnulometry is not scientifically justified.

 

Vapour pressure

The Modified Grain method was used to estimate the vapour pressure of  methyl N-methylanthranilate using MPBPVP v1.43 Program of EPI SUITE. The vapour pressure of methyl N-methylanthranilate was estimated to be 2.74 Pa at 25 degC.

 

Partition coefficient

Based on the available data from study report,the partition Coefficient n-octanol/water of test chemical methyl-N-methylanthranilate (CAS No. 85-91-6) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 450.4 mg/l. The pH of test substance was 3.68. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, 4-Acetylpyridine, Diphenylamine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value of the test chemical methyl-N-methylanthranilate was determined to be 3.0842 ± 0.012 dimensionless at 25°C. On the basis of this value, test chemical methyl-N-methylanthranilate can be considered to be hydrophilic in nature.

 

Water solubility

The water solubility determination of test item methyl-N-methylanthranilate (CAS No. 85-91-6) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of (methyl-N-methylanthranilate of 85 -91 -6 ) in water was determine to be 329.792 mg/L at 30°C.

Thus the methyl-N-methylanthranilate (CAS No. 85-91-6) is considered to be moderately soluble in water.

 

Solubility in organic solvents / fat solubility

Data from various handbooks; indicates that the substance methyl-N-Methyl anthranilate (CAS No.85-91-6) is partially soluble in alcohol i.e solubility 1:3 in 80% alcohol, remains in solution to 10 ml.

 

Surface tension

The surface tension of methyl N-methylanthranilate was predicted using the ACD/Labs Percepta Platform - PhysChem Module. The surface tension of methyl N-methylanthranilate (CAS No. 85-91-6) was estimated to be 40.8±3.0 mN/m.

 

Flash point

The flash point determination of test item methyl-N-methylanthranilate (CAS No. 85-91-6 ) was done. The method is closed cup method using Pensky-Martens Flash Point Apparatus. The mean flash point of the test item was determine to be 102.6°C at 977.6 hPa.

 

Auto flammability

The substance methyl 2-(methylamino)benzoate is not auto-flammable.

 

Flammability

methyl-N-methylanthranilate (CAS No. 85-91-6) 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-methylanthranilate (CAS No. 85-91-6) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus methyl-N-methylanthranilate (CAS No. 85-91-6) was considered non-flammable.

 

Explosiveness

In accordance with column 2 of Annex VII of the REACH regulation, this end point was considered forwiaver since there are no chemical groups associated with explosive properties in methyl N-methylanthranilate and therefore methyl N-methylanthranilate is unlikely to be explosive substance.

 

Oxidising properties

This end point was considered for waiver since this study does not need to be conducted because the organic substance methyl N-methylanthranilate contains oxygen which are chemically bonded only to hydrogen and hence, the classification procedure does not need to be applied.

 

pH

The pH determination of test item methyl-N-methylanthranilate (CAS No 85-91-6) was done following OECD guideline 122. pH of 1% w/v emulsion was measu red with the help of pH meter and it was observed to be 4.83 at 29 °C.

 

Viscosity

Kinematic viscosity (experimental) of methyl-N-methylanthranilate( CAS No. 85-91-6)at 20°C and 40°C is 31.86mm²/secand 23.79mm²/s,respectively.

Dynamic viscosity (calculated) of methyl-N-methylanthranilate( CAS No. 85-91-6) at 20°C and 40°C is 35.78mPa.S and 26.72mPa.S, respectively.

Additional information

Appearance / physical state / colour

On the basis of physical observation and using the sense of smell, methyl-N-methylanthranilate (CAS No. 85-91-6) was observed to be a clear colourless liquid.

Based on the data available from reliable handbooks such as Fenaroli’s handbook of flavor ingredient (2005),Food additives handbook (1989), Hazardous chemicals desk reference (2008), Sax’s Dangerous Properties of Industrial Chemicals (2012), the substance methyl N-methylanthranilate was found to be a pale yellow organic liquid having grape like odour.

Other supporting studies from various reliable sources such as authoritative databases, study reports and handbooks, also indicates that methyl N-methylanthranilate was found to be a colourless to clear pale yellow organic liquid with slight bluish fluorescence and having grape like or orange and mandarin-peel-like odour.

 

Melting point / freezing point

The Freezing point determination of methyl-Nmethylanthranilate (CAS No. 85-91-6) was done using crushed Ice and salt . No freezing was observed up to -14.74°C. Hence, the freezing point was inferred to be less than -14.74 °C at 978.1 hPa. This freezing point value when converted at 101 325 Pa is equivalent to -15.27°C.

 

Boiling point

The boiling point determination of test item methyl-N-methylanthranilate (CAS No. 85-91-6 ) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was determine to be 256.3°C at 977.7 hPa.

Based on the data from other supporting studies from various reliable sources such as authoritative databases and handbooks, the boiling point of methyl- N-methylanthranilate was found to be in the range of 255 to 256 °C. Thus, for the purpose of chemical safety assessment we will consider the key study value which is reported as 256.3 °C at 977.7 hPa. This boiling point value when converted at 101 325 Pa is equivalent to 265.61°C.

 

Density

The density of test item methyl-N-methylanthranilate (CAS No. 85 -91-6 ) was determined following OECD 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 1.123 g/cm³ at 20°C and 977.8 hPa.

Based on the data from other supporting studies from various reliable sources such as authoritative databases and handbooks, the density of methyl- N-methylanthranilate was found to be in the range of 1.12 to 1.138 g/cm3 at 15 to 25 °C. Thus, for the purpose of chemical safety assessment we will consider the key study value which is reported as 1.123 g/cm3 at 20°C and 977.8 hPa.

 

Particle size distribution (Granulometry)

In accordance with column 2 of Annex VII of the REACH regulation, the study does not need to be conducted if the substance is marketed or used in a non solid or granular form. The substance methyl N-methylanthranilate is a liquid and hence garnulometry is not scientifically justified.

 

Vapour pressure

Based on the data (key study and various supporting studies) from various predictive model, the vapour pressure of the substance methyl- N-methylanthranilate was found to be in the range of 2.573 to 2.74 Pa at 25 degC. Thus, for the purpose of chemical safety assessment we will consider the key study value which is reported as 2.74 Pa at 25°C.

 

Partition coefficient

Based on the available data in a key study from study report, the partition Coefficient n-octanol/water of test chemical methyl-N-methylanthranilate (CAS No. 85-91-6) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 450.4 mg/l. The pH of test substance was 3.68. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, 4-Acetylpyridine, Diphenylamine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value of the test chemical methyl-N-methylanthranilate was determined to be 3.0842 ± 0.012 dimensionless at 25°C.

Additional study from peer reviewed journal, authoritative and modelling database indicates that the octanol water partition coefficient (log Pow) value of the test chemical was estimated to be 2.81.

Thus, based on the available information, the logPow valueof the test chemical methyl-N-methylanthranilate ranges from 2.81 to 3.08, respectively. On the basis of this value, test chemical methyl-N-methylanthranilate can be considered to behydrophilic in nature. 

 

Water solubility

The water solubility determination of test item methyl-N-methylanthranilate (CAS No. 85-91-6) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of (methyl-N-methylanthranilate of 85 -91 -6 ) in water was determine to be 329.792 mg/L at 30°C.

Thus the methyl-N-methylanthranilate (CAS No. 85-91-6) is considered to be moderately soluble in water.

The study based on various handbooks such as Fenaroli’s handbook of flavor ingredients,5th edition,2005; Food additives Handbook, 1989; Hazardous chemicals desk reference, 2008; Sax’s Dangerous Properties of Industrial Chemicals, 2012; and CRC Handbook of Chemistry and Physics, 2011, indicates that the substance methyl-N-methyl anthranilate (CAS No. 85 -91 -6) is insoluble in water.

 

Solubility in organic solvents / fat solubility

Data from various handbooks such as Fenaroli’s handbook of flavor ingredients,5th edition,2005; Food additives Handbook, 1989; and Hawley’s Condensed Chemical Dictionary, 2007; indicates that the substance methyl-N-Methyl anthranilate (CAS No.85-91-6) is partially soluble in alcohol i.e solubility 1:3 in 80% alcohol, remains in solution to 10 ml. Also the substance methyl-N-Methyl anthranilate was found to be soluble in fixed oils; slightly soluble in propylene glycol and insoluble in glycerin.

 

Surface tension

The surface tension of methyl N-methylanthranilate was predicted using the ACD/Labs Percepta Platform - PhysChem Module. The surface tension of methyl N-methylanthranilate (CAS No. 85-91-6) was estimated to be 40.8±3.0 mN/m at 25 degC.

 

Flash point

The flash point determination of test item methyl-N-methylanthranilate (CAS No. 85-91-6 ) was done. The method is closed cup method using Pensky-Martens Flash Point Apparatus. The mean flash point of the test item was determine to be 102.6°C at 977.6 hPa.

Based on the data from other supporting studies from various reliable sources such as handbooks, authoritative database and study reports, the flash point of methyl- N-methylanthranilate was found to be in the range of 91 to 106.5±19 °C. Thus, for the purpose of chemical safety assessment we will consider the key study value which is reported as 102.6°C at 977.6 hPa. This flash point value when converted at 101 325 Pa is equivalent to 106.3 °C.

 

Auto flammability

The substance methyl N-methylanthranilate did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that methyl N-methyl anthranilate is not auto-flammable.

 

Flammability

methyl-N-methylanthranilate (CAS No. 85-91-6) 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-methylanthranilate (CAS No. 85-91-6) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus methyl-N-methylanthranilate (CAS No. 85-91-6) was considered non-flammable.

 

Explosiveness

In accordance with column 2 of Annex VII of the REACH regulation, this end point was considered for wiaver since there are no chemical groups associated with explosive properties in methyl N-methyl anthranilate and therefore methyl N-methylanthranilate is unlikely to be explosive substance.

 

Oxidising properties

This end point was considered for waiver since this study does not need to be conducted because the organic substance methyl N-methylanthranilate contains oxygen which are chemically bonded only to hydrogen and hence, the classification procedure does not need to be applied.

 

pH

The pH determination of test item methyl-N-methylanthranilate (CAS No. 85-91-6 ) was done as per the test guideline OECD 122. The mean pH of the test emulsion was determined with the help of digital pH meter. The mean pH was determine to be 4.83 at 29 °C. This value indicates that the substance methyl N-methyla nthranilate is acidic in nature.

 

Viscosity

The viscosity determination of test item methyl-N-methylanthranilate (CAS No. 85-91-6 ) was done as per the test guideline OECD 114 using Redwood Visco meter No.1. Kinematic viscosity (experimental) of test item at 20°C and 40°C is 31.86 mm²/sec and 23.79 mm²/s,respectively. Dynamic viscosity (calculated) of test item at 20°C and 40°C is 35.78 mPa.S and 26.72 mPa.S, respectively.