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EC number: 211-889-1 | CAS number: 705-86-2
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 colorless liquid.
Freezing point:
The Freezing point determination of test chemical was done using crushed ice and salt. No freezing was observed up to -7.07°C. Hence, the freezing point was inferred to be less than -7.07 °C at 964.6 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 test item does not show string of bubbles up to 300 °C, inferring boiling point to be greater than 300°C at 966.6 hPa.
Density:
The density of Test item was determined following OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]. The mean density of the test item was determine to be 0.9661 g/cm³ at 20°C and 965.0 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.
Vapour pressure:
The vapour pressure of test chemical was estimated to be 0.63 Pa at temperature 25°C.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical was determined by Shake Flask Method. The study was performed at a temperature of 28°C. The log Pow value was determined to be 2.27 at a temperature of 28°C and pH 3.41.
Water solubility:
The water solubility determination of test item was done by spectrophotometric method. The water solubility was determine to be 3832.07 mg/L at 25°C.. Thus test chemical is considered to be soluble in water.
Solubility in organic solvents / fat solubility:
The experimental value of solubility of test chemical in methanol at 28 Deg C was determine to be 780000 mg/L indicating that this substance is soluble in methanol.
The experimental value of solubility of test chemical in methanol at 28 Deg C was determine to be 900000 mg/L indicating that this substance is very soluble in petroleum ether.
Surface tension:
Surface tension of test chemical was estimated to be 30.183 mN/m at temperature 25 Deg C.
Flash point:
The flash point determination of Test item was done. The method was closed cup method using Abels Flash Point Apparatus. The mean flash point of the test item was determine to be 82.3°C at 967.5 hPa.
Auto flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 28 Deg C and atmospheric pressure of 975 hPa. This indicates that test chemical is not auto-flammable.
Flammability:
From the experimental values of flammability, test chemical ignited when the flame of bunsen burner having temperature of 950 Deg C was brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950 Deg C. However since such high temperatures are not found under normal circumstances of transportation and use, 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:
Test chemical was observed to have oxidising property since 123.9 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.
Stability in organic solvents and identity of relevant degradation products:
Test chemical was observed to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.
pH:
The pH determination of test item was done following OECD guideline 122. pH of 1% w/v emulsion was measured with the help of pH meter and it was observed to be 4.23 at 25.2 °C.
Dissociation constant:
The experimental pKa value for test chemical was determine to be 0.00000000014, 0.000000000142, 0.000000000139 at temperature 28 Deg C indicating that it has dissociation properties.
Viscosity:
The viscosity determination of Test item was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of Test item at 20°C and 40°C is 24.7000 mm²/sec and 21.9830 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 23.8626 mPa.S and 21.2377 mPa.S, respectively.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, test chemical was observed to be a colorless liquid.
On the basis of physical observation and using the sense of smell, test chemical was observed to be a Colorless organic liquid with characteristic odour at 28°C and 975 hPa, colourless liquid having creamy-coconut and peach-like flavor and odour.
Freezing point:
The Freezing point determination of test chemical was done using crushed ice and salt. No freezing was observed up to -7.07°C. Hence, the freezing point was inferred to be less than -7.07 °C at 964.6 hPa
From reliable sources freezing point of test chemical was determine in the range between -27 to -25°C.
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 test item does not show string of bubbles up to 300 °C, inferring boiling point to be greater than 300°C at 966.6 hPa.
Other authoritative source of information though indicate the boiling point to be 281 Deg C, in the range between 117 to 120 °C at pressure 3 Pa & 122 °C at pressure 0.2 kPa.
Density:
The density of Test item was determined following OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]. The mean density of the test item was determine to be 0.9661 g/cm³ at 20°C and 965.0 hPa.
The density of decan-5-olide by the mass by volume method was determine to be 0.93 g/cm3 at room temperature of 28°C.
From other databases & handbooks density of test chemical was determine to be 0.9723 at temperature 20 °C, 0.9540 at temperature 25 °C & 0.954 at temperature 20 °C.
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.
Vapour pressure:
The vapour pressure of test chemical was estimated to be 0.63 Pa at temperature 25°C.
From other authoritative database vapour pressure of test chemical was estimated to be 1.0999 Pa at 25°C.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical was determined by Shake Flask Method. The study was performed at a temperature of 28°C. The log Pow value was determined to be 2.27 at a temperature of 28°C and pH 3.41.
Water solubility:
The water solubility determination of test item was done by spectrophotometric method. The water solubility was determine to be 3832.07 mg/L at 25°C.. Thus test chemical is considered to be soluble in water.
The experimental value of the water solubility of test chemical was observed to be 4000 mg/L at 28 Deg C indicating that it is soluble in water. The supporting study shows value different from the key study which could be due to the difference in the estimation conditions.
Solubility in organic solvents / fat solubility:
The experimental value of solubility of test chemical in methanol at 28 Deg C was determine to be 780000 mg/L indicating that this substance is soluble in methanol.
The experimental value of solubility of test chemical in methanol at 28 Deg C was determine to be 900000 mg/L indicating that this substance is very soluble in petroleum ether.
Surface tension:
Surface tension of test chemical was estimated to be 30.183 mN/m at temperature 25 Deg C.
Flash point:
The flash point determination of Test item was done. The method was closed cup method using Abels Flash Point Apparatus. The mean flash point of the test item was determine to be 82.3°C at 967.5 hPa.
The flash point of a substance is the lowest temperature at which it can form an ignitable mixture in air. The experimental value of flash point of test chemical by the closed cup method was observed to be 82 Deg C at 975 hPa.This value when converted into 101 325 pascal is equivalent to 85.216 Deg C.
Auto flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 28 Deg C and atmospheric pressure of 975 hPa. This indicates that test chemical is not auto-flammable.
Flammability:
From the experimental values of flammability, test chemical ignited when the flame of bunsen burner having temperature of 950 Deg C was brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950 Deg C. However since such high temperatures are not found under normal circumstances of transportation and use, 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:
Test chemical was observed to have oxidising property since 123.9 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.
Stability in organic solvents and identity of relevant degradation products:
Test chemical was observed to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.
pH:
The pH determination of test item was done following OECD guideline 122. pH of 1% w/v emulsion was measured with the help of pH meter and it was observed to be 4.23 at 25.2 °C.
Dissociation constant:
The experimental pKa value for test chemical was determine to be 0.00000000014, 0.000000000142, 0.000000000139 at temperature 28 Deg C indicating that it has dissociation properties.
Viscosity:
The viscosity determination of Test item was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of Test item at 20°C and 40°C is 24.7000 mm²/sec and 21.9830 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 23.8626 mPa.S and 21.2377 mPa.S, respectively.
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