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EC number: 208-096-8 | CAS number: 509-34-2
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation the chemical 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'- [9H]xanthene]-3-one was observed to be Pinkish -red colored powder in appearance.
Melting point:
The melting point determination of 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No. 509-34-2) 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 139°C -141.1°C at 978.8hPa.
Boiling point:
The boiling point determination of 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'- [9H]xanthene]-3-one (CAS No. 509-34-2) was done following OECD Guideline 103 and according to the method of Siwoloboff. The substance melts and forms sticky texture ,without producing string of bubbles and rise in capillary upto 340°C, inferring b.p. to be greater than 340°C at 978.4 hPa.
Density:
The density of substance 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3- one (CAS No. 509-34-2)was determined following OECD Guideline 109 and according to the Test methods: Pour density and tapped density of powders” recommended in The International Pharmacopoeia, Fourth Edition, 2014 using bulk density apparatus. The mean pour density and tapped density of 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3- oneis was determined to be 0.3176 g/cm³ and 0.4408 g/cm³ at 26.7°C and 978.7 hPa.
Particle Size Distribution:
The particle size distribution of test test item 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No. 509-34-2 ) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.
Vapour Pressure:
Modified Grain Method of MPBPVP v1.43 was used to estimate the vapour pressure of 3',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (Solvent Red 49)
The estimated vapour pressure of 3',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (Solvent Red 49) at 25 deg C was 1.55E-010 Pa
Partition Coefficient:
The partition coefficient(n-octanol/water) of test substance 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No. 509-34-2)was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 3.649 ± 0.054 at 25°C.
Water Solubility:
The water solubility determination of test item 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one; CAS No.509-34-2 was done by spectrophotometric method. The water solubility was found to be 4829.54 mg/L at 30°C.
Surface tension:
The surface tension of 3',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (509-34-2)from ACD labs was predicted to be 58.0 ± 5.0 dyne/cm.
Flash point:
From the available report of SSS europe (AB),the flash point determination of 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No. 509-34-2)was done following closed cup method using Pensky-Martens flash point apparatus.The test was conducted in replicates and mean flash point was found to be 190.6°C at 979.2hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No. 509-34-2) was considered to be non-flammable.
Autoflammability:
The study does not need to be conducted because the 3',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS No.509-34-2) has melting point 139-141 degree C which was less than 160 degree C. Therefore this end point considered for waiver.
Flammability:
The study does not need to be conducted because the substance is a solid, the flash point is 190.6 degree C which is very high. As per the CLP regulation the chemical which has flash point >than 60 degree C was considered to be non-flammable. Based on this3',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one(CAS no 509-34-2) was considered to be 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 oxidising properties and hence, the classification procedure does not need to be applied
pH:
The pH determination of test item 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No 509-34-2) was done following OECD guideline 122. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 7.58at 28 °C. Based on the result, 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No 509-34-2) was considered to be neutral 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 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'- [9H]xanthene]-3-one was observed to be Pinkish -red colored powder in appearance.
Melting point:
The melting point determination of 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No. 509-34-2) was done following OECD Guideline 102 and according to the metal block capillary method by SSS. The test was conducted in replicates and mean melting temperature range was determined to be 139°C -141.1°C at 978.8hPa.
Other supporting data from Environment Canada Health Assessment report indicates the melting point of the substance 3',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one as 160°C, which is near to the selected key value for the target substance.
Boiling point:
The boiling point determination of 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'- [9H]xanthene]-3-one (CAS No. 509-34-2) was done following OECD Guideline 103 and according to the method of Siwoloboff. The substance melts and forms sticky texture ,without producing string of bubbles and rise in capillary upto 340°C, inferring b.p. to be greater than 340°C at 978.4 hPa.
Other supporting study from authoritative database suggests that the boiling point of chemical 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'- [9H]xanthene]-3-one is reported to be 637.2±55.0 °C at 760 Torr pressure.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of boiling point as greater than 340 degree C at 978.4 hPa,thus considered as key study for the chemical safety assessment.
Density:
The density of substance 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3- one (CAS No. 509-34-2)was determined following OECD Guideline 109 and according to the Test methods: Pour density and tapped density of powders” recommended in The International Pharmacopoeia, Fourth Edition, 2014 using bulk density apparatus. The mean pour density and tapped density of 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3- oneis was determined to be 0.3176 g/cm³ and 0.4408 g/cm³ at 26.7°C and 978.7 hPa.
Particle Size Distribution:
The particle size distribution of test test item 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No. 509-34-2 ) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.
Vapour Pressure:
Modified Grain Method of MPBPVP v1.43 was used to estimate the vapour pressure of 3',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (Solvent Red 49).
The estimated vapour pressure of 3',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (Solvent Red 49) at 25 deg C was 1.55E-010 Pa
Partition Coefficient:
The partition Coefficient n-octanol/water of 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one(CAS No.509-34-2) 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 similarity with the test substance and calibration graph was prepared . The reference substances were Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, Triphenylamine, Nitrobenzene, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene Diphenyl ether, Allyl phenyl ether having Pow value ranging from 1.9 to 4.6 The Log Pow value was found to be 3.649 ± 0.054 at 25°C.
Water Solubility:
The water solubility determination of test item 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No. 509-34-2) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of (3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one of 509-34-2 )in water was found to be 4829.54 mg/L at 30°C.
Surface tension:
The surface tension of 3',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (509-34-2)from ACD labs was predicted to be 58.0 ± 5.0 dyne/cm.
Flash point:
The flash point determination of 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No. 509-34-2)was done following closed cup method using Pensky-Martens flash point apparatus.The test was conducted in replicates and mean flash point was found to be 190.6°C at 979.2hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No. 509-34-2) was considered to be non-flammable.
Autoflammability:
The study does not need to be conducted because the 3',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS No.509-34-2) has melting point 139-141.1 degree C which was less than 160 degree C. Therefore this end point considered for waiver.
Flammability:
The study does not need to be conducted because the substance is a solid, the flash point is 190.6 degree C which is very high. As per the CLP regulation the chemical which has flash point >than 60 degree C was considered to be non-flammable. Based on this3',6'-bis(diethylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one(CAS no 509-34-2) was considered to be 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 oxidising properties and hence, the classification procedure does not need to be applied
pH:
The pH determination of test item 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No 509-34-2) was done following OECD guideline 122. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 7.58at 28 °C. Based on the result, 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No 509-34-2) was considered to be neutral in nature.
Viscosity:
The study does not need to be conducted because the substance is a solid
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