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EC number: 282-846-2 | CAS number: 84434-47-9
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation,the chemicalN-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate was observed to be an organic greenish coloured lustrous liquid in appearance.
Freezing point:
The Freezing point determination of [4-[[4- (dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1- ylidene]dimethylammonium acetate (CAS No.84434-47-9) was done using crushed ice and salt. No freezing was observed up to -17.93 °C. Hence, the freezing point was inferred to be less than -17.93 °C at 971.1 hPa.
Boiling point:
The boiling point determination of N- [4 -[[4-(dimethylamino)phenyl][4- (methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate (CAS No. 84434-47-9) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted and boiling point was determined to be greater than 300°C at 968.3 hPa
Density:
The density of chemical N-[4-[[4-(dimethylamino)phenyl][4- (methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate (CAS No. 84434-47-9)was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision)using glass pyknometer. The mean density of chemical was determined to be 1.0816 g/cm³ and at 20 °C and 970.6 hPa.
Particle Size Distribution:
The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form.
N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate was observed to be an organic greenish coloured lustrous liquid in appearance.Hence, this endpoint was considered for waiver.
Vapor Pressure:
MPBPVP v1.43 was used to estimate the vapor pressure of N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate.
The estimated vapor pressure of N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate was at 25°C was 2.41E-013Pa
Partition Coefficient:
KOWWIN v 1.68 of EPISUITE was used to estimate the octanol water partition coefficient of N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate .The estimated log Pow of N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium
acetate was 2.72.
Water Solubility:
The water solubility determination of test item [4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate (CAS No. 84434 -47-9) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of ([4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate [CAS:84434-47-9] in water was determined to be 102950 mg/L at 30°C.
Surface tension:
The study does not need to be conducted bacause based on structure, surface activity is not expected or cannot be predicted.
Flash point:
The flash point determination of [4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate (CAS No. 84434-47-9)was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and flash point was determined to be 105°C at 968.3hPa.
Autoflammability:
N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate is not auto-flammable.
Flammability:
N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium 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 N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate 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 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.
pH:
The pH determination of test item [4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate (CAS No 84434-
47-9) was done following OECD guideline 122. pH of 1% w/v emulsion was measured with the help of pH meter and it was observed to be 3.23at 31 °C.
Dissociation constant:
The study does not need to be conducted because the substance is readily oxidisable in water.
Viscosity:
Kinematic viscosity (experimental) of [4-[[4-(dimethylamino)phenyl][4-
(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate( CAS No. 84434-
47-9)at 30°C and 50°C is 49.6470mm²/secand 48.1650mm²/s,respectively.
Dynamic viscosity (calculated) of [4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-
2,5-dien-1-ylidene]dimethylammonium acetate( CAS No. 84434-47-9)at 30°C and 50°C is
53.6981mPa.Sand 52.0952mPa.S, respectively.
Additional information
Appearance:
On the basis of physical observation,the chemicalN-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate was observed to be an organic greenish coloured lustrous liquid in appearance.
Freezing point:
The Freezing point determination of [4-[[4- (dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1- ylidene]dimethylammonium acetate (CAS No.84434-47-9) was done using crushed ice and salt. No freezing was observed up to -17.93 °C. Hence, the freezing point was inferred to be less than -17.93 °C at 971.1 hPa.
Boiling point:
The boiling point determination of N- [4-[[4-(dimethylamino)phenyl][4- (methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate (CAS No. 84434-47-9) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted and boiling point was determined to be greater than 300°C at 968.3 hPa
Density:
The density of chemical N-[4-[[4-(dimethylamino)phenyl][4- (methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate (CAS No. 84434-47-9)was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision)using glass pyknometer. The mean density of chemical was determined to be 1.0816 g/cm³ and at 20 °C and 970.6 hPa.
Particle Size Distribution:
The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form.
N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate was observed to be an organic greenish coloured lustrous liquid in appearance.Hence, this endpoint was considered for waiver.
Vapor Pressure:
MPBPVP v1.43 was used to estimate the vapor pressure of N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate.
The estimated vapor pressure of N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate was at 25°C was 2.41E-013Pa
Partition Coefficient:
KOWWIN v 1.68 of EPISUITE was used to estimate the octanol water partition coefficient of N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate .The estimated log Pow of N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate was 2.72.
Water Solubility:
The water solubility determination of test item [4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate (CAS No. 84434 -47-9) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of ([4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate [CAS:84434-47-9] in water was determined to be 102950 mg/L at 30°C.
Surface tension:
The study does not need to be conducted bacause based on structure, surface activity is not expected or cannot be predicted.
Flash point:
The flash point determination of [4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate (CAS No. 84434-47-9)was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and flash point was determined to be 105°C at 968.3hPa.
Autoflammability:
N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate is not auto-flammable.
Flammability:
N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium 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 N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate 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 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.
pH:
The pH determination of test item [4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate (CAS No 84434-
47-9) was done following OECD guideline 122. pH of 1% w/v emulsion was measured with the help of pH meter and it was observed to be 3.23at 31 °C.
Dissociation constant:
The study does not need to be conducted because the substance is readily oxidisable in water.
Viscosity:
Kinematic viscosity (experimental) of [4-[[4-(dimethylamino)phenyl][4-
(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate( CAS No. 84434-
47-9)at 30°C and 50°C is 49.6470mm²/secand 48.1650mm²/s,respectively.
Dynamic viscosity (calculated) of [4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-
2,5-dien-1-ylidene]dimethylammonium acetate( CAS No. 84434-47-9)at 30°C and 50°C is
53.6981mPa.Sand 52.0952mPa.S, respectively.
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