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EC number: 265-499-1 | CAS number: 65138-66-1
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) was determine to be a solid powder having red color.
Melting point:
The melting point determination of Test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) (CAS No. 65138 -66 -1 ) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean Melting Temperature Range was determine to be 216.5 -220°C at 972.03 hPa.
Boiling Point:
The boiling point determination of 9-[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 - dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 - (4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]- 1H-pyrazole-3 -carboxylic acid (3:1) (CAS No. 65138 -66 -1) was done following OECD Guideline 103 and according to the method of Siwoloboff, boiling point was determine to be greater than 300 °C at 970.8 hPa.
Density:
The density of Test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) (CAS No. 65138 -66 -1 ) was determined following OECD guideline 109 and according to the method adapted from ASTM D 854 -02. The mean density of the test item was determine to be 0.9171 g/cm³ and 20°C and 970.2 hPa.
Particle size distribution:
The particle size distribution of test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 - dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 - carboxylic acid (3:1) (CAS No. 65138 -66 -1 ) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to bein the range of 150 micron to 25 micron.
Vapour pressure:
The estimated vapour pressure of 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium at 25 deg C was 2.2398E-15 kPa.
Partition coefficient:
The partition Coefficient n-octanol/water of 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) (CAS No.65138 -66 -1) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals (Sustainability Support Service (Europe) AB, Study no. 65138-66-1/01/2017/POW, 2017). The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared was prepared. The reference substances were Acetophenone, Benzophenone, Phenol, Benzene, Methyl benzoate, 2,6-Diphenylpyridine, Triphenylamine, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Diphenylamine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 5.7 The Log Pow value was determined to be 0.189 ± 0.012 at 25°C.
Water solubility:
The estimated water solubility of 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium at 25 deg C was 12.5 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. 9-[2 -(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium (CAS no. 65138-66-1) is used in a printing ink, petrolium. For this use, surface activity is not an important property. Hence this study was considered for waiver.
Flash point:
The flash point determination of Test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 - dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 - carboxylic acid (3:1) (CAS No. 65138 -66 -1 )was done. The method was closed cup method using Pensky- Martens Flash Point Apparatus. The mean flash point of the test item was determine to be 160.6°C at 970.5 hPa.
Auto flammability:
9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 - dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 - sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 - carboxylic acid (3:1) did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 - dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 - sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 - carboxylic acid (3:1) is not auto-flammable.
Flammability:
9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) 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 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) 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.
pH:
The pH determination of test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1)(CAS No. 65138 -66 -1 ) was done as per the test guideline OECD 122. The mean pH of the test solutionwas determined with the help of digital pH meter. The mean pH was determine to be 5.44 at 27.16 °C.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) was determine to be a solid powder having red color.
Melting point:
The melting point determination of Test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) (CAS No. 65138 -66 -1 ) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean Melting Temperature Range was determine to be 216.5 -220°C at 972.03 hPa.
Boiling Point:
The boiling point determination of 9-[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 - dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 - (4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]- 1H-pyrazole-3 -carboxylic acid (3:1) (CAS No. 65138 -66 -1) was done following OECD Guideline 103 and according to the method of Siwoloboff, boiling point was determine to be greater than 300 °C at 970.8 hPa.
Density:
The density of Test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) (CAS No. 65138 -66 -1 ) was determined following OECD guideline 109 and according to the method adapted from ASTM D 854 -02. The mean density of the test item was determine to be 0.9171 g/cm³ and 20°C and 970.2 hPa.
Particle size distribution:
The particle size distribution of test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 - dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 - carboxylic acid (3:1) (CAS No. 65138 -66 -1 ) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to bein the range of 150 micron to 25 micron.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 -dimethylxanthylium using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 -dimethylxanthylium at 25 deg C was 2.2398E-15 kPa.
Partition coefficient:
The partition Coefficient n-octanol/water of 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) (CAS No.65138 -66 -1) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals (Sustainability Support Service (Europe) AB, Study no. 65138-66-1/01/2017/POW, 2017). The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared was prepared. The reference substances were Acetophenone, Benzophenone, Phenol, Benzene, Methyl benzoate, 2,6-Diphenylpyridine, Triphenylamine, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Diphenylamine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 5.7 The Log Pow value was determined to be 0.189 ± 0.012 at 25°C.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 -dimethylxanthylium.
The estimated water solubility of 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 -dimethylxanthylium at 25 deg C was 12.5 mg/l.
Based on the estimated value, 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 -dimethylxanthylium 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. 9-[2 -(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium (CAS no. 65138-66-1) is used in a printing ink, petrolium. For this use, surface activity is not an important property. Hence this study was considered for waiver.
Flash point:
The flash point determination of Test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 - dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 - carboxylic acid (3:1) (CAS No. 65138 -66 -1 )was done. The method was closed cup method using Pensky- Martens Flash Point Apparatus. The mean flash point of the test item was determine to be 160.6°C at 970.5 hPa.
Auto flammability:
9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 - dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 - sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 - carboxylic acid (3:1) did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 - dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 - sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 - carboxylic acid (3:1) is not auto-flammable.
Flammability:
9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) 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 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) 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.
pH:
The pH determination of test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1)(CAS No. 65138 -66 -1 ) was done as per the test guideline OECD 122. The mean pH of the test solutionwas determined with the help of digital pH meter. The mean pH was determine to be 5.44 at 27.16 °C.
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