Registration Dossier
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EC number: 297-755-3 | CAS number: 93762-42-6
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, test chemical was observed to be a dark blue liquid.
Melting point:
The Freezing point determination of test chemical was done using crushed ice and salt. No freezing was observed up to -13.86°C. Hence, the freezing point was inferred to be less than -13.86°C at 971.1 hPa.
Boiling Point:
The boiling point determination of Test item was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was observed to be 175.5°C at 969.1 hPa.
Density:
The density of Test item was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014. The mean pour density and tapped density of the test item was observed to be 0.4211 g/cm³ and 0.5410 g/cm³ at 29.1°C and 968.6 hPa.
Particle size distribution:
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form. On the basis of physical observation test chemical was observed to be liquid.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of test chemical using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of test chemical at 25 deg C was 9.7058E-10 Pa.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately pipetting 4 microliter of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 168.4 mg/l. The pH of test substance was 5.6. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Butanone, Acetophenone, Benzophenone, 4-Methoxyphenol, Phenol, Benzene, Thymol, Biphenyl, Methyl benzoate, Benzyl Benzoate, 1,4 -Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, 2,6-Diphenylpyridine, Bromobenzene, 2,3-Dichloroaniline, Triphenylamine, 4 - Acetylpyridine, 2-Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, Cinnamic Acid, 3-Nitrobenzoic acid, 3-Methylbenzoic acid, 3-Chlorobenzoic acid, Dodecanoic acid, Toluene, Ethylbenzene, n-
Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether, DDT having Pow value ranging from 0.3 to 6.5.
.The Log Pow value was determined to be 4.249 ± 0.001 at 25°C. Based on this value, it can be concluded that test chemical is hydrophobic in nature.
Water solubility:
The water solubility determination of test chemical was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was observed to be 0.01 mg/L at 25°C. From this solubility value it is concluded that test chemical is insoluble in water.
Surface tension:
The study does not need to be conducted because water solubility is below 1 mg/L at 20°C.
Flash point:
Based on the experimental data obtained from lab report, flash point was determined to be 70°C at 969.5 hPa. The flash point determination of test chemical was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates.
Auto flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that test chemical is not auto-flammable.
Flammability:
Test chemical 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 test chemical is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus test chemical was considered 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.
Oxidizing properties:
the study does not need to be conducted because the organic substance does not contain oxygen or halogen atoms and hence, the classification procedure does not need to be applied.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, test chemical was observed to be a dark blue liquid.
Melting point:
The Freezing point determination of test chemical was done using crushed ice and salt. No freezing was observed up to -13.86°C. Hence, the freezing point was inferred to be less than -13.86°C at 971.1 hPa.
Boiling Point:
The boiling point determination of Test item was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was observed to be 175.5°C at 969.1 hPa.
Density:
The density of Test item was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014. The mean pour density and tapped density of the test item was observed to be 0.4211 g/cm³ and 0.5410 g/cm³ at 29.1°C and 968.6 hPa.
Particle size distribution:
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form. On the basis of physical observation test chemical was observed to be liquid.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of test chemical using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of test chemical at 25 deg C was 9.7058E-10 Pa.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately pipetting 4 microliter of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 168.4 mg/l. The pH of test substance was 5.6. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Butanone, Acetophenone, Benzophenone, 4-Methoxyphenol, Phenol, Benzene, Thymol, Biphenyl, Methyl benzoate, Benzyl Benzoate, 1,4 -Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, 2,6-Diphenylpyridine, Bromobenzene, 2,3-Dichloroaniline, Triphenylamine, 4 - Acetylpyridine, 2-Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, Cinnamic Acid, 3-Nitrobenzoic acid, 3-Methylbenzoic acid, 3-Chlorobenzoic acid, Dodecanoic acid, Toluene, Ethylbenzene, n-
Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether, DDT having Pow value ranging from 0.3 to 6.5.
.The Log Pow value was determined to be 4.249 ± 0.001 at 25°C. Based on this value, it can be concluded that test chemical is hydrophobic in nature.
Water solubility:
The water solubility determination of test chemical was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was observed to be 0.01 mg/L at 25°C. From this solubility value it is concluded that test chemical is insoluble in water.
Surface tension:
The study does not need to be conducted because water solubility is below 1 mg/L at 20°C.
Flash point:
Based on the experimental data obtained from lab report, flash point was determined to be 70°C at 969.5 hPa. The flash point determination of test chemical was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates.
Auto flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that test chemical is not auto-flammable.
Flammability:
Test chemical 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 test chemical is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus test chemical was considered 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.
Oxidizing properties:
the study does not need to be conducted because the organic substance does not contain oxygen or halogen atoms and hence, the classification procedure does not need to be applied.
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