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Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

On the basis of physical observation the chemical 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole was observed to be light yellow colored crystalline powder in appearance.

Melting point:

The melting point determination of 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No. 1533-45-5) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and Mean Melting Point was determined  to be 349.8°C at 977.5hPa.

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 substance 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No. 1533-45-5)was determined following OECD Guideline 109 and according to the Adapted from ASTM D854-02 using glass pyknometer. The mean density of 2,2'-(vinylenedi-p-phenylene)bisbenzoxazoleis was determined to be 1.342 g/cm³ at 20°C and 979.2 hPa.

Particle Size Distribution:

The particle size distribution of test item 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No. 1533-45-5) 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:

MPBPVP v1.43 was used to estimate the vapour pressure of 2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole). The estimated vapour pressure of 2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3 -benzoxazole) at 25 deg C was1.71E-011 Pa =1.28E-013 mmHg

Partition Coefficient:

The partition Coefficient n-octanol/water of test chemical 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No. 1533-45-5) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals (Experimental study report, 2018). A test item solution was prepared by accurately weighing 4 mg of test item and diluted with acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 5.4.The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were 4-Acetylpyridine, Acetophenone, 4-Methoxyphenol, Phenol, Benzene, Methyl benzoate, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, Bromobenzene, Acetanilide, 2-Nitrophenol, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, Cinnamic Acid, 3-Methylbenzoic acid, Dodecanoic acid, Toluene, Ethylbenzene, n-Butylbenzene, Allyl phenyl ether, DDT having Pow value ranging from 0.5 to 6.5. The Log Pow value of the test substance 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole was determined to be 5.499 ± 0.001 dimensionless at 25°C. On the basis of this value, test substance 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole can be considered to be hydrophobic in nature.

Water Solubility:

The water solubility determination of test item 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No. 1533-45-5) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of (2,2'-(vinylenedi-pphenylene)bisbenzoxazole of CAS No: 1533-45-5 )in water was determine to be less than 0.01 mg/L at 25°C.

From this solubility it is concluded that chemical is insoluble in water at 25°C.

Surface tension:

In accordance with column 2 of Annex VIII of the REACH regulation, testing for this end point is considered scientifically unjustified since there are mitigating factors indicating that aquatic toxicity is unlikely to occur as the substance is highly insoluble (solubility: 0.00007559 mg/L at 25° C) in water.

Flash point:

The mean flash point of 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No. 1533-45-5) is 282.6°C at 978.0 hPa.

Autoflammability:

2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole) did not catch fire on being exposed to air at room temperature of 27 degree C pressure of 966 hPa. This indicates that 2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole) is not auto-flammable.

Flammability:

2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole) 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

2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus

2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole) 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 of 1% w/v dispersion of the test item 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No1533-45-5) was 8.63 at 30 °C.

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 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole was observed to be light yellow colored crystalline powder in appearance.

other supporting study from authoritative database also suggests that the chemical 2,2'-(Vinylenedi-4-phenylene)bis(benzoxazole) is observed to be dry powder in appearance.

Melting point:

The melting point determination of 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No. 1533-45-5) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and Mean Melting Point was determined  to be 349.8°C at 977.5hPa.

Other supporting studies from authoritative database also suggests that the melting point of chemical  2,2'-(Vinylenedi-4-phenylene)bis(benzoxazole) determined to be in the range of 365 °C to 368 °C.

As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of melting point as 349.8 degree C thus considered as key study for the chemical safety assessment.

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 substance 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No. 1533-45-5) was determined following OECD Guideline 109 and according to the Adapted from ASTM D854-02 using glass pyknometer. The experimental mean density of  2,2'-(vinylenedi-p-phenylene)bisbenzoxazole is determined to be 1.342 g/cm³ at 20°C and 979.2 hPa.

Other supporting study from authoritative databases, estimated the density of chemical 2,2'-(Vinylenedi-4-phenylene)bis(benzoxazole) as 1.281 ± 0.06 g/cm3 at 20 °C and 760 Torr pressure, closer to the selected key study.

Particle Size Distribution:

The particle size distribution of test item 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No. 1533-45-5) 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:

MPBPVP v1.43 was used to estimate the vapour pressure of 2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole). The estimated vapour pressure of 2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3 -benzoxazole) at 25 deg C was1.71E-011 Pa =1.28E-013 mmHg

Partition Coefficient:

The partition Coefficient n-octanol/water of test chemical 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No. 1533-45-5) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals (Experimental study report, 2018). A test item solution was prepared by accurately weighing 4 mg of test item and diluted with acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 5.4.The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were 4-Acetylpyridine, Acetophenone, 4-Methoxyphenol, Phenol, Benzene, Methyl benzoate, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, Bromobenzene, Acetanilide, 2-Nitrophenol, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, Cinnamic Acid, 3-Methylbenzoic acid, Dodecanoic acid, Toluene, Ethylbenzene, n-Butylbenzene, Allyl phenyl ether, DDT having Pow value ranging from 0.5 to 6.5. The Log Pow value of the test substance 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole was determined to be 5.499 ± 0.001 dimensionless at 25°C. On the basis of this value, test substance 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole can be considered to be hydrophobic in nature.

Water Solubility:

The water solubility determination of test item 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No. 1533-45-5) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of (2,2'-(vinylenedi-pphenylene)bisbenzoxazole of CAS No: 1533-45-5 )in water was determine to be less than 0.01 mg/L at 25°C.

From this solubility it is concluded that chemical is insoluble in water at 25°C.

Surface tension:

In accordance with column 2 of Annex VIII of the REACH regulation, testing for this end point is considered scientifically unjustified since there are mitigating factors indicating that aquatic toxicity is unlikely to occur as the substance is highly insoluble (solubility: 0.00007559 mg/L at 25° C) in water.

Flash point:

The flash point determination of 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No. 1533-45-5) 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 282.6°C at 978.0 hPa.

Other supporting data from authoritative database Scifinder, estimated the flash point of 2, 2’-(ethene-1, 2-diyldi-4, 1-phenylene)bis(1,3-benzoxazole) (CAS no. 1533-45-5) as 285.1±21.0 °C.

Based on the experimental and estimated values, the given chemical 2, 2’-(ethene-1, 2-diyldi-4, 1-phenylene)bis(1,3-benzoxazole) (CAS No 1533-45-5) was not classified as flammable.

Autoflammability:

2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole) did not catch fire on being exposed to air at room temperature of 27 degree C pressure of 966 hPa. This indicates that 2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole) is not auto-flammable.

Flammability:

2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole) 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

2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus

2,2'-(ethene-1,2-diyldi-4,1-phenylene)bis(1,3-benzoxazole) 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 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No 1533-45-5) 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 8.63at 30 °C.Based on the value the

2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (CAS No 1533-45-5) was considered as basic in nature.

Viscosity:

The study does not need to be conducted because the substance is a solid