Registration Dossier
Registration Dossier
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EC number: 203-013-1 | CAS number: 102-20-5
Endpoint summary
Administrative data
Description of key information
Appearance/physical state/colour:
On the basis of physical observation, test chemical was observed to be an organic colourless liquid in appearance.
Freezing point:
Based on the data obtained from the various reliable sources, the freezing point of test chemical was observed to be 28°C.
Boiling point:
The boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point of test chemical was observed to be > 240°C at 970.65 hPa.
Density:
The density of test chemical was determined following OECD guideline OECD 109 according to pycnometer method. The density of the test substance was determined to be 1.0772 gm/cm3 at 20 °C and 977.0 hPa.
Particle size distribution (Granulometry):
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form.
Vapour pressure:
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test substance using MPBPVP v1.43 of EPI SUITE. The vapour pressure of the test substance at 25°C was estimated to be 0.0248 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. The reference substances were chosen according to estimated Pow range of the test substance. Formamide is used as an unretained compound for the determination of the “dead time” t0. Individual solutions of these five substances were prepared in methanol: water (3:1). The reference substances were Benzophenone, Naphthalene, 1,2,4 trichlorobenzene, n-Butylbenzene and Triphenylamine having Pow value ranging from 3.2 to 5.7, respectively. The Log Pow value of the test chemical was determined to be 3.827 at 25°C.
Water solubility:
The water solubility determination of test chemical was done as per the spectrophotometric method. The solubility of test chemical in water was determined to be 15.56 mg/l at 22 °C. Based on the obtained value the test chemical was considered to be slightly soluble in water.
Surface tension:
Based on the prediction done by predicted database, the surface tension of test chemical was predicted to be 42.501 mN/m at 25 °C.
Flash point:
The flash point determination of test chemical was done by closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test chemical was determined to be 134°C at 973.2 hPa.
Auto-flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 28 °C and atmospheric pressure of 975 hPa. This indicates that the substance is not auto-flammable.
Flammability:
Flash point of test substance was determined to be 134°C at 973.2 hPa. On the basis of GHS classification criteria, test chemical has flash point > 60°C hence the test chemical 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 the organic substance contains oxygen or halogens atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied.
Stability in organic solvents and identity of relevant degradation products
the study does not need to be conducted because the stability of the substance is not considered to be critical
pH:
The pH determination of test substance was done as per the OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The pH of the test solution was determined with the help of pH meter. The pH 1% w/v aqueous solution of the test substance was determined to be 5.7 at 26 °C which indicates that the test chemical was acidic in nature.
Dissociation constant
the study does not need to be conducted because the substance has no ionic structure
Viscosity:
The viscosity determination of test chemical was done as per the test guideline OECD 114 using Redwood Viscometer No. Under the test condition, the kinematic viscosity (experimental) of test chemical at 20°C and 40°C was determined to be 35.938 mm2/sec and 21.983mm2/s, respectively and the dynamic viscosity (calculated) of test chemical at 20°C and 40°C was determined to be 38.703 mPa.S and 23.680 mPa.S, respectively.
Additional information
Appearance/physical state/colour:
On the basis of physical observation, test chemical was observed to be an organic colourless liquid in appearance.
Based on the data obtained from other reliable handbooks sources, test chemical was observed to be a colorless to slightly yellow liquid in appearance with rosy, hyacinth odor.
Freezing point:
Based on the data obtained from the various reliable sources, the freezing point of test chemical was observed to be 28°C.
Based on the data obtained from the reliable sources, the freezing point of test chemical was determined to be 26.5°C.
Based on the data obtained from various sources, the freezing point of test chemical ranges from 26.5°C to 28°C.
Boiling point:
The boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point of test chemical was observed to be > 240°C at 970.65 hPa.
Based on the data obtained from reliable sources, the boiling point of the test chemical was determined to be 325 °C.
Thus based on the above all data, it is observed that the boiling point of test chemical ranges from > 240°C to 325 °C.
Density:
The density of test chemical was determined following OECD guideline OECD 109 according to pycnometer method. The density of the test substance was determined to be 1.0772 gm/cm3 at 20 °C and 977.0 hPa.
Based on available data from reliable sources, the density of test chemical was determined to be 1.079 – 1.082 g/cm³ at 25°C.
Based on available data from reliable handbook, the density of test chemical was determined to be in the range of 1.080 – 1.082 g/cm³ at 25 °C.
Based on the data obtained from reliable source, the density of test chemical was determined to be 1.082 g/cm³ at 25 °C.
Thus based on the above all studies, it is observed that the density value ranges from 1.04 g/cm3 to 1.082 g/cm³ at 25 °C.
Particle size distribution (Granulometry):
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form.
Vapour pressure:
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test substance using MPBPVP v1.43 of EPI SUITE. The vapour pressure of the test substance at 25°C was estimated to be 0.0248 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. The reference substances were chosen according to estimated Pow range of the test substance. Formamide is used as an unretained compound for the determination of the “dead time” t0. Individual solutions of these five substances were prepared in methanol: water (3:1). The reference substances were Benzophenone, Naphthalene, 1,2,4 trichlorobenzene, n-Butylbenzene and Triphenylamine having Pow value ranging from 3.2 to 5.7, respectively. The Log Pow value of the test chemical was determined to be 3.827 at 25°C.
Water solubility:
The water solubility determination of test chemical was done as per the spectrophotometric method. The solubility of test chemical in water was determined to be 15.56 mg/l at 22 °C. Based on the obtained value the test chemical was considered to be slightly soluble in water.
Surface tension:
Based on the prediction done by predicted database, the surface tension of test chemical was predicted to be 42.501 mN/m at 25 °C.
Flash point:
The flash point determination of test chemical was done by closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test chemical was determined to be 134°C at 973.2 hPa.
Auto-flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 28 °C and atmospheric pressure of 975 hPa. This indicates that the substance is not auto-flammable.
Flammability:
Flash point of test substance was determined to be 134°C at 973.2 hPa. On the basis of GHS classification criteria, test chemical has flash point > 60°C hence the test chemical 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 the organic substance contains oxygen or halogens atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied.
Stability in organic solvents and identity of relevant degradation products
the study does not need to be conducted because the stability of the substance is not considered to be critical
pH:
The pH determination of test substance was done as per the OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The pH of the test solution was determined with the help of pH meter. The pH 1% w/v aqueous solution of the test substance was determined to be 5.7 at 26 °C which indicates that the test chemical was acidic in nature.
Dissociation constant
the study does not need to be conducted because the substance has no ionic structure
Viscosity:
The viscosity determination of test chemical was done as per the test guideline OECD 114 using Redwood Viscometer No. Under the test condition, the kinematic viscosity (experimental) of test chemical at 20°C and 40°C was determined to be 35.938 mm2/sec and 21.983mm2/s, respectively and the dynamic viscosity (calculated) of test chemical at 20°C and 40°C was determined to be 38.703 mPa.S and 23.680 mPa.S, respectively.
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