Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate

Endpoint summary

Description of key information

Appearance:

On the basis of physical observation and using the sense of smell, Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was observed to be a greenish lustrous liquid.

Melting point:

The Freezing point of Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate  was determined with freezing temperature and it was determine to be less than -9.67 °C at 976.2 hPa.

Boiling Point:

The boiling point determination of Test item Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was determine to be 116.6°C at 976.7 hPa.

Density:

The density of Test item Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate 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 1.0839 g/cm³at 20°C and 976.5 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,

Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was observed to be a greenish lustrous liquid.

Vapour pressure:

The estimated vapour pressure of Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate at 25 deg C was 4.01E-11 Pa.

Partition coefficient:

The partition Coefficient n-octanol/water of chemical Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate 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 Methanol up to 10 ml. Thus, the test solution concentration was 44.92 mg/l(calculated according to its density). The pH of test substance was 8.1. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared was prepared. The reference substances were Butanone, Acetophenone, Benzophenone, Phenol, Benzene, 2,6-Diphenylpyridine, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Diphenylamine, Naphthalene, Triphenylamine, having Pow value ranging from 0.3 to 5.7. The Log Pow value of the test chemical Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was determined to be 1.776 ± 0.002 at 25°C. On the basis of this value, the test substance Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate can be considered to be hydrophilic in nature.

Water solubility:

The water solubility determination of test item Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was done by spectrophotometric method. The water solubility was determine to be 299494 mg/L at 25°C.

Surface tension:

Based on the data from ACD labs, surface tension for Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was predicted to be 0.0360 N/m.

Flash point:

The flash point determination of Test item Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate 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 183°C at 976.6 hPa.

Auto flammability:

Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate is not auto-flammable.

Flammability:

Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate 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 Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was considered non-flammable.

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 liquid.

pH:

The pH determination of test item Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was done following OECD guideline 122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 4.11 at 24.8 °C.

Viscosity:

Kinematic viscosity (experimental) of Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate at 20°C and 40°C was 37.6922 mm²/sec and 28.3062 mm²/s,respectively.

Dynamic viscosity (calculated) of Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate at 20°C and 40°C was 40.8545 mPa.S and 30.6810 mPa.S, respectively.

Additional information

Appearance:

On the basis of physical observation and using the sense of smell, Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was observed to be a greenish lustrous liquid.

Melting point:

The Freezing point determination of Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was done using crushed ice and salt. No freezing was observed up to -9.67°C.

Hence, the freezing point was inferred to be less than -9.67 °C at 976.2 hPa.

 

 

 

Boiling Point:

The boiling point determination of Test item Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was determine to be 116.6°C at 976.7 hPa.

Density:

The density of Test item Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate 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 1.0839 g/cm³at 20°C and 976.5 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,

Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was observed to be a greenish lustrous liquid.

Vapour pressure:

Modified Grain method was used to estimate the vapour pressure of Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate

using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate at 25deg C was 4.01E-11 Pa.

Partition coefficient:

The partition Coefficient n-octanol/water of chemical Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate 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 Methanol up to 10 ml. Thus, the test solution concentration was 44.92 mg/l(calculated according to its density). The pH of test substance was 8.1. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared was prepared. The reference substances were Butanone, Acetophenone, Benzophenone, Phenol, Benzene, 2,6-Diphenylpyridine, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Diphenylamine, Naphthalene, Triphenylamine, having Pow value ranging from 0.3 to 5.7. The Log Pow value of the test chemical Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was determined to be 1.776 ± 0.002 at 25°C. On the basis of this value, the test substance Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate can be considered to be hydrophilic in nature.

Water solubility:

The water solubility determination of test item Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate of CAS No: 71598-17-9 )in water was determine to be 299494 mg/L at 25°C.

Therefore it is concluded that chemical Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate is very soluble in water.

Surface tension:

Based on the data from ACD labs, surface tension for Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was predicted to be 0.0360 N/m.

Flash point:

The flash point determination of Test item Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate 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 183°C at 976.6 hPa.

Auto flammability:

Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate is not auto-flammable.

Flammability:

Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate 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 Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was considered non-flammable.

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 liquid.

pH:

The pH determination of test item Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate was done following OECD guideline 122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 4.11 at 24.8 °C.

Viscosity:

The viscosity determination of Test item Reaction mass of 3H-​Indolium, 2-​[2-​[4-​(dimethylamino)​phenyl]​ethenyl]​-​1,​3,​3-​trimethyl-​ & acetate 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 was 37.6922 mm²/sec and 28.3062 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C was 40.8545 mPa.S and 30.6810 mPa.S, respectively