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EC number: 221-409-2 | CAS number: 3087-16-9
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation the chemical Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt was observed to be Dark green colored powder in appearance.
Melting point:
The melting point determination of Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium,monosodium salt (CAS No. 3087-16-9) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting temperature range was determined to be 321.3°C -325°C at 976.3hPa.
Boiling point:
The study does not need to be conducted because the substance is a solid which melts above 300°C
Density:
The density of test item Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt(CAS No. 3087-16-9)was determined following OECD Guideline 109 and according to theTest methods: Pour density and tapped density of powders” recommended in The InternationalPharmacopoeia, Fourth Edition, 2014 using bulk density appratus.The mean pour density andtapped density of test item is was determined to be 0.5412 g/cm³ and 0.6253 g/cm³at 28.0°C and 977.5 hPa.
Particle Size Distribution:
The particle size distribution of test item Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt(CAS No. 3087-16-9) was determined by granulometric analysis with rotap sieve shaker.
The particle size distribution was determined to be in the range of 150 micron to 25 micron.
Vapor Pressure:
The study does not need to be conducted since the melting point is above 300 deg C.
The mean melting temperature range of Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt was determined to be 321.3°C -325°C at 976.3hPa. Hence, this endpoint was considered for waiver.
Partition Coefficient:
The partition Coefficient n-octanol/water of Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt(CAS No.3087-16-9) 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 functional group similarity with the test substance and calibration graph was prepared. The reference substances were phenol, benzene, biphenyl, 4-acetylpyridine, toluene, ethylbenzene, n-butylbenzene and naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 0.595 ± 0.017 at
25°C.
Based on this value, Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt can be considered to be hydrophillic in nature, which is also supported by its high solubility in water.
Water Solubility:
The water solubility determination of test item Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt (CAS No. 3087-16-9) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt (CAS: 3087-16-9 ) in water was determined to be 492554 mg/L at 28°C.
Based on the value, Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt can be considered to be highly 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 Hydrogen (4-(4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, monosodium salt (3087-16-9) 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 Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt (CAS No. 3087-16-9)was done following closed cup method using Pensky-Martens flash point apparatus. The test was
conducted in replicates and mean flash point was determined to be 284.6°C at 975.9hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the Hydrogen [4-[4-(dimethylamino)-?-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt (CAS No. 3087 -16 -9)was considered to be non-flammable.
Autoflammability:
Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt is not auto-flammable.
Flammability:
hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt 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 hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt 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 oxidising properties and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test item Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt (CAS No 3087-16-9) 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 4.37at 28 °C.
Based on the value, Hydrogen [4-[4-(dimethylamino)-?-(2-hydroxy-3,6-disulphonato-1- naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt is considered to be acidic in nature.
Viscosity:
The study does not need to be conducted because the substance is a solid
Additional information
Appearance:
On the basis of physical observation the chemical Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt was observed to be Dark green colored powder in appearance.
Melting point:
The melting point determination of Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium,monosodium salt (CAS No. 3087-16-9) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting temperature range was determined to be 321.3°C -325°C at 976.3hPa.
Boiling point:
The study does not need to be conducted because the substance is a solid which melts above 300°C
Density:
The density of test item Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt(CAS No. 3087-16-9)was determined following OECD Guideline 109 and according to theTest methods: Pour density and tapped density of powders” recommended in The InternationalPharmacopoeia, Fourth Edition, 2014 using bulk density appratus.The mean pour density andtapped density of test item is was determined to be 0.5412 g/cm³ and 0.6253 g/cm³at 28.0°C and 977.5 hPa.
Particle Size Distribution:
The particle size distribution of test item Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt(CAS No. 3087-16-9) was determined by granulometric analysis with rotap sieve shaker.
The particle size distribution was determined to be in the range of 150 micron to 25 micron.
Vapor Pressure:
The study does not need to be conducted since the melting point is above 300 deg C.
The mean melting temperature range of Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt was determined to be 321.3°C -325°C at 976.3hPa. Hence, this endpoint was considered for waiver.
Partition Coefficient:
The partition Coefficient n-octanol/water of Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt(CAS No.3087-16-9) 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 functional group similarity with the test substance and calibration graph was prepared. The reference substances were phenol, benzene, biphenyl, 4-acetylpyridine, toluene, ethylbenzene, n-butylbenzene and naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 0.595 ± 0.017 at
25°C.
Based on this value, Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt can be considered to be hydrophillic in nature, which is also supported by its high solubility in water.
Water Solubility:
The water solubility determination of test item Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt (CAS No. 3087-16-9) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt (CAS: 3087-16-9 ) in water was determined to be 492554 mg/L at 28°C.
Based on the value, Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt can be considered to be highly 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 Hydrogen (4-(4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, monosodium salt (3087-16-9) 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 Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt (CAS No. 3087-16-9)was done following closed cup method using Pensky-Martens flash point apparatus. The test was
conducted in replicates and mean flash point was determined to be 284.6°C at 975.9hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the Hydrogen [4-[4-(dimethylamino)-?-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt (CAS No. 3087 -16 -9)was considered to be non-flammable.
Autoflammability:
Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt is not auto-flammable.
Flammability:
hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt 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 hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt 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 oxidising properties and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test item Hydrogen [4-[4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt (CAS No 3087-16-9) 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 4.37at 28 °C.
Based on the value, Hydrogen [4-[4-(dimethylamino)-?-(2-hydroxy-3,6-disulphonato-1- naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt is considered to be acidic in nature.
Viscosity:
The study does not need to be conducted because the substance is a solid
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