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EC number: 228-668-0 | CAS number: 6320-14-5
Endpoint summary
Administrative data
Description of key information
Appearance / physical state / colour:
The physical appearance of 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is observed as a violet colored solid crystalline powder organic compound.
Melting point/ Freezing point:
Based on prediction done using MPBPVP v1.43, the melting point of chemical 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1 -enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) was estimated to be 263.39 ˚C.
Boiling point:
Based on prediction done using MPBPVP v1.43,the Boiling point of chemical 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1 -enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) was estimated to be 608.73 ˚C.
Density:
The density of 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is estimated to be 1.06 g/cm³.
Particle size distribution (Granulometry):
The particle size distribution of 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 147 micron to 52 micron.
Vapour pressure:
The estimated vapour pressure of the test substance 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) at 25deg C was 1.42E-011 Pa.
Partition coefficient:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride(CAS no. 6320 -14 -5) . The partition coefficient (log Pow) value of the substance 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride was estimated to be 2.47 dimensionless. On the basis of log Pow value it can be concluded that this test chemical is hydrophilic in nature.
Water solubility:
The estimated water solubility of test substance 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) at 25 deg C was 26.53 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. The 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320 -14-5) is used as a coloring agent in Plastic Dyestuffs, etc. For this use, surface activity is not an important property. Hence this study was considered for waiver.
Flash point:
Based on the Calculation done using scientifically verified and validated formulas / equations, the flash point of chemical 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) was estimated to be 385.09 degree C.
Autoflammability:
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2 -ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is not auto-flammable.
Flammability:
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) 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-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14 -5) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) 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 oxidizing properties and hence the classification procedure does not need to be applied.
Additional information
Appearance / physical state / colour:
Based on available data from handbook, the physical appearance of 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene) prop-1-enyl]-1,3,3 -trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is observed as a violet colored solid crystalline powder organic compound.
Melting point/ Freezing point:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) was predicted.
The melting point of chemical 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) was estimated to be 263.39 ˚C.
Boiling point:
Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of chemical
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) was predicted.
The boiling point of chemical 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) was estimated to be 608.73 ˚C.
Density:
Based on prediction done from CompTox Chemistry Dashboard, the density of 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene) prop-1 -enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is estimated to be 1.06 g/cm³.
Particle size distribution (Granulometry):
The particle size distribution of 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 147 micron to 52 micron.
Vapour pressure:
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test substance 2 -[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the test substance 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) at 25deg C was 1.42E-011 Pa.
Partition coefficient:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride(CAS no. 6320 -14 -5) . The partition coefficient (log Pow) value of the substance 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride was estimated to be 2.47 dimensionless. On the basis of log Pow value it can be concluded that this test chemical is hydrophilic in nature.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of the test substance
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5).
The estimated water solubility of the test substance 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl -3H-indolium chloride (CAS no. 6320-14-5) at 25 deg C was 26.53 mg/l.
Based on the estimated value, the test substance 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) was considered to be 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. The 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320 -14-5) is used as a coloring agent in Plastic Dyestuffs, etc. For this use, surface activity is not an important property. Hence this study was considered for waiver.
Flash point:
Based on the Calculation done using scientifically verified and validated formulas / equations, the flash point of chemical 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) was estimated to be 385.09 degree C.
Autoflammability:
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2 -ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is not auto-flammable.
Flammability:
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) 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-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl] -1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) 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 oxidizing properties and hence the classification procedure does not need to be applied.
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