Reaction mass of Diethyl[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]ammonium and acetate

Endpoint summary

Description of key information

Appearance / physical state / colour:

On the basis of physical observation and using the sense of smell, the Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was observed to be a maroon colored lustrous liquid organic compound.

Melting point/ Freezing point:

The Freezing point of Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate; was determined using freezing temperature method. No freezing was observed up to less than -9.21 °C.

Boiling point:

The Boiling point of Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetatewas126.3°C at 974.7 hPa.

Density:

The pour density and tapped density of Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was found to be 1.1096 g/cm³ at 20°C and 975.25 hPa.

Particle size distribution (Granulometry):

In accordance with column 2 of Annex VII of the REAcH regulation this end point was considered for waiver since the chemical Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate is a liquid and is expected to be marketed or used in a non solid or granular form.

Vapour pressure:

The estimated vapour pressure of the Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate at 25deg C was 9.77E-014 Pa.

Partition coefficient:

The partition Coefficient n-octanol/water of test chemical Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances Phenol, Benzene, 2-Nitrophenol, Nitrobenzene, Diphenylamine, Dodecanoic acid, having Pow value ranging from 1.5 to 4.2.The Log Pow value was determined to be 3.757 dimensionless at 25°C.This value indicates that the substance is very hydrophilic in nature.

Water solubility:

The water solubility for the test item Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was found to be 194712 mg/L at 25°C.

Surface tension:

Based on the prediction done by ACD labs, the surface tension for chemical Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate(CAS No. 76994-37-1) was predicted to be  46.8 ± 5.0 dyne/cm.

Flash point:

The Flash point flash point of Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate(CAS No. 76994-37-1) was 115°C at 974.9 hPa.

Autoflammability:

Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate is not auto-flammable.

Flammability:

Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & 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 Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & 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 Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was considered as 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.

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.

pH:

The pH of 1% w/v solution of the test item Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was 3.20 at 27.3 °C.

Viscosity:

Kinematic viscosity (experimental) of Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate at 20°C and 40°C is 33.3450 mm²/sec and 27.4911 mm²/s,respectively.Dynamic viscosity (calculated) of Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate at 20°C and 40°C is 33.3450 mPa.S and 27.4911 mPa.S, respectively.

Additional information

Appearance / physical state / colour:

On the basis of physical observation and using the sense of smell, the Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was observed to be a maroon colored lustrous liquid organic compound.

Melting point/ Freezing point:

The Freezing point determination of Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was done using crushed ice +salt. No freezing was observed up to -9.21°C. Hence, the freezing point was inferred to be less than -9.21°C at 976.2hPa.

Boiling point:

The boiling point determination of Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and Boiling point was found to be 126.3°C at 974.7 hPa.

Density:

The density of test item Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method forDetermination of Density of Liquids (First Revision) using pyknometer The mean density of the test item was found to be 1.1096 g/cm³ at 20°C and 975.25 hPa.

Particle size distribution (Granulometry):

In accordance with column 2 of Annex VII of the REAcH regulation this end point was considered for waiver since the chemical [4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetate is a liquid and is expected to be marketed or used in a non solid or granular form.

Vapour pressure:

Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of the Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetateat 25deg C was 9.77E-014 Pa.

Partition coefficient:

The partition Coefficient n-octanol/water of test chemical Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate

was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances Phenol, Benzene, 2-Nitrophenol, Nitrobenzene, Diphenylamine, Dodecanoic acid, having Pow value ranging from 1.5 to 4.2.The Log Pow value was determined to be 3.757 dimensionless at 25°C.

This value indicates that the substance is very hydrophilic in nature.

Water solubility:

The water solubility determination of test item Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetat

was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of

Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate

in water was found to be 194712 mg/L at 25°C.

Surface tension:

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical

Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate

was predicted to be  46.8 ± 5.0 dyne/cm.

Flash point:

The flash point determination of

Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate

was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and Flash point flash point was found to be 115°C at 974.9 hPa.

Autoflammability:

Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate is not auto-flammable.

Flammability:

Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & 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 Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & 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 Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & acetate was considered as 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.

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.

pH:

The pH determination of test item Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & 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 3.20 at 27.3 °C.

Viscosity:

The viscosity determination of Test item

Reaction mass of Ethanaminium, N-​[4-​[[4-​(diethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​ethyl-​ & 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 is 33.3450 mm²/sec and 27.4911 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 33.3450 mPa.S and 27.4911 mPa.S, respectively.