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Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

On the basis of physical observation and using the sense of smell, 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride was observed to be a solid.

Melting point:

Based on prediction done using MPBPVP v1.43,the melting point of 2-[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride was  estimated to be 272.63 Deg C.

Boiling Point:

Based on prediction done using MPBPVP v1.43,the Boiling point of 2-[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride  was  estimated to be 628.51 Deg C.

Density:

The density of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride is concluded to be 0.97 g/cm3 at 20°C and 981.6 hPa.

Particle size distribution:

The particle size distribution of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride 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 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride at 25 deg C was 3.31E-12 Pa.

Partition coefficient:

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride.

The estimated logPOW of the test substance 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride was 2.6672.

Based on the estimated value, the test substance 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride can be considered hydrophillic in nature, which is also supported by the water solubility of the test substance 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride.

Water solubility:

The estimated water solubility of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride at 25 deg C was 12.59 mg/l.

Surface tension:

In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical.2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride is used as a dye. For this use, surface activity is not an important property. Hence this study was considered for waiver.

Flash point:

The flash point of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride is determine to be greater than 300 °C at 980.9 hPa.

Auto flammability:

2-[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that  2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride is not auto-flammable.

Flammability:

2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride 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 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride 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.

Stability in organic solvents and identity of relevant degradation products :

The study does not need to be conducted because the stability of the substance is not considered to be critical.

Dissociation constant :

The study does not need to be conducted because the substance is readily oxidisable in water.

Viscosity :

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, 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride was observed to be a solid.

Melting point:

Based on the prediction done using the EPI Suite MPVPBP V1.43,the melting point of 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride was predicted.

The melting point of 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride was estimated to be 272.63˚C.

Boiling Point:

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride was predicted.

The boiling point of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride was estimated to be 628.51 ˚C.

Density:

The density of test substance 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride was determined following OECD guideline OECD 109 according to pycnometer method. The density of the test substance was concluded to be 0.97 gm/cm3at 20 °C and 981.6 hPa.

Particle size distribution:

The particle size distribution of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride 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 (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride at 25deg C was 3.31E-12 Pa.

Partition coefficient:

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride.

The estimated logPOW of the test substance 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride was 2.6672.

Based on the estimated value, the test substance 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride can be considered hydrophillic in nature, which is also supported by the water solubility of the test substance 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride.

Water solubility:

WSKOW v1.42 was used to estimate the water solubility of 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride.

The estimated water solubility of 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride at 25 deg C was 12.59 mg/l.

Based on the estimated value, 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride was slightly soluble in water.

Surface tension:

In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical.2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride is used as a dye. For this use, surface activity is not an important property. Hence this study was considered for waiver.

Flash point:

The flash point determination of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride was done as per the test guideline OECD 103. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride was determine to be 300 °C at 980.9 hPa.

Auto flammability:

2-[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that  2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride is not auto-flammable.

Flammability:

2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride 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 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 2 -[2 -[4 -[(2 -chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3 -trimethyl-3H-indolium chloride 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.

Stability in organic solvents and identity of relevant degradation products :

The study does not need to be conducted because the stability of the substance is not considered to be critical.

Dissociation constant :

The study does not need to be conducted because the substance is readily oxidisable in water.

Viscosity :

The study does not need to be conducted because the substance is a solid.