Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

Chemical Nicotine sulphate physically appear as a white crystalline solid.

Melting point:

Chemical Nicotine sulphate does not have melting point it decomposes without melting.

Boiling Point:

The study does not need to be conducted because the substance is a solid which decomposes before boiling. Chemical Nicotine sulphate does not have melting point it decomposes without melting.

Density:

Density of chemical nicotine sulphate is determine to be 1.15 g/cm3 at  20 Deg C.

Particle size distribution:

The particle size distribution of nicotine sulphate 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:

The estimated vapour pressure of Nicotine sulphate at 25 deg C was 2.853 Pa.

Partition coefficient:

Based on the available data from peer reviewed journal,the partition coefficient (log Pow) value of the substance 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; sulfuric acid was determined according to OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method). Radiolabeling was done at the carbon position. The test substance, radiolabeled (S)-(-)-[pyridine-2-14C]nicotine hemisulfate (S-14CNHS), was synthesized by ChemSyn Science Laboratories (Lenexa, KS, USA) as a primary ethanol solution (630µCi/ml) and was stored at-20±5°C under an inert atmosphere protected from light. The stability of the test substance under these storage conditions and of a representative dosing solution was determined by analysis of the chemical and radiochemical purity using reverse-phase HPLC with variable-wavelength and radiochemical detectors, and radio-optical purity was determined using a chiral HPLC method with variable-wavelength and radiochemical detectors. Chemical purity was determined using reverse-phase high-performance liquid chromatography (HPLC) with a variable-wavelength detector. Purity was evaluated periodically during the course of testing. Radiochemical and radio-optical purities of the labeled S-14CNHS were 99% or greater throughout all the studies. The test substance was prepared in deionized water as a mixture of S-NHS and S-14CNHS at a nominal concentration of 1,000 mg/L and a specific activity of approximately 1,000,000 dpm/mg. This stock solution was added to two series of test vessels (30-ml Teflonfluorinated ethylene propylene, Oak Ridge–style centrifuge tubes) in a volume of either 0.2 or 2 ml. Each of three buffer solutions (pH 3, 7, and 9) was added to triplicate vessels in each series to create a total aqueous volume of 15 ml. Five milliliters of 1-octanol (HPLC grade; purity,>99%; Sigma-Aldrich) were then added, for a total volume of 20 ml. Each octanol–buffer combination had been previously equilibrated together and separated. The tubes were agitated on a Labquake rocking platform shaker (approx.50 reversals/min; Barnstead, Dubuque, IA, USA) for 1 hr at 24.5°C and then centrifuged (10,620gfor 20 min atapprox.25°C) to separate the two phases. Triplicate aliquots of the organic and aqueous phases in each tube were collected for determination of the test substance concentration by liquid scintillation counting. TheKOW was calculated as the ratio of the concentration of the test substance in octanol to that in the aqueous buffer. The partition coefficient (log Pow) value of the substance 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; sulfuric acid was determined to be 0.16 at a temperature of 24.5°C and pH 7.0, respectively. Based on this value, chemical 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; sulfuric acid can be considered to be hydrophilic in nature.

Water solubility:

The estimated water solubility of nicotine sulphate at 25 deg C was 10300 mg/l.

Surface tension:

In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. Nicotine sulfate (CAS no. 65-30-5) is used as a pesticide, insecticide. For this use, surface activity is not an important property. Hence this study was considered for waiver.

Flash point:

The study does not need to be conducted because decomposition occurred during the melting point study.

Auto flammability:

Nicotine sulphate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that Nicotine sulphate is not auto-flammable.

Flammability:

Nicotine sulphate 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 Nicotine sulphate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Nicotine sulphate 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 substance is a solid.

Additional information

Appearance:

Chemical Nicotine sulphate physically appear as a white crystalline solid.

From other reliable sources & authoritative databases chemical Nicotine sulphate appear as a white crystalline solid having tobacco like odor.

Melting point:

Chemical Nicotine sulphate does not have melting point it decomposes without melting.

Boiling Point:

The study does not need to be conducted because the substance is a solid which decomposes before boiling. Chemical Nicotine sulphate does not have melting point it decomposes without melting.

Density:

Density of chemical nicotine sulphate is determine to be 1.15 g/cm3 at  20 Deg C.

From other reliable sources & authoritative databases density of Nicotine sulphate is determine to be 1.15 g/cm3.

Particle size distribution:

The particle size distribution of nicotine sulphate 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 was used to estimate the vapour pressure of Nicotine sulphate using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of nicotine sulphate at 25 deg C was 2.853 Pa.

Partition coefficient:

Based on the available data in a key study from peer reviewed journal, the partition coefficient (log Pow) value of the substance 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; sulfuric acid was determined according to OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method). Radiolabeling was done at the carbon position. The test substance, radiolabeled (S)-(-)-[pyridine-2-14C]nicotine hemisulfate (S-14CNHS), was synthesized by ChemSyn Science Laboratories (Lenexa, KS, USA) as a primary ethanol solution (630µCi/ml) and was stored at-20±5°C under an inert atmosphere protected from light. The stability of the test substance under these storage conditions and of a representative dosing solution was determined by analysis of the chemical and radiochemical purity using reverse-phase HPLC with variable-wavelength and radiochemical detectors, and radio-optical purity was determined using a chiral HPLC method with variable-wavelength and radiochemical detectors. Chemical purity was determined using reverse-phase high-performance liquid chromatography (HPLC) with a variable-wavelength detector. Purity was evaluated periodically during the course of testing. Radiochemical and radio-optical purities of the labeled S-14CNHS were 99% or greater throughout all the studies. The test substance was prepared in deionized water as a mixture of S-NHS and S-14CNHS at a nominal concentration of 1,000 mg/L and a specific activity of approximately 1,000,000 dpm/mg. This stock solution was added to two series of test vessels (30-ml Teflonfluorinated ethylene propylene, Oak Ridge–style centrifuge tubes) in a volume of either 0.2 or 2 ml. Each of three buffer solutions (pH 3, 7, and 9) was added to triplicate vessels in each series to create a total aqueous volume of 15 ml. Five milliliters of 1-octanol (HPLC grade; purity,>99%; Sigma-Aldrich) were then added, for a total volume of 20 ml. Each octanol–buffer combination had been previously equilibrated together and separated. The tubes were agitated on a Labquake rocking platform shaker (approx.50 reversals/min; Barnstead, Dubuque, IA, USA) for 1 hr at 24.5°C and then centrifuged (10,620gfor 20 min atapprox.25°C) to separate the two phases. Triplicate aliquots of the organic and aqueous phases in each tube were collected for determination of the test substance concentration by liquid scintillation counting. TheKOW was calculated as the ratio of the concentration of the test substance in octanol to that in the aqueous buffer. The partition coefficient (log Pow) value of the substance 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; sulfuric acid was determined to be 0.16 at a temperature of 24.5°C and pH 7.0, respectively.

Additional supporting studyfromauthoritative databasesindicates that the octanol waterpartition coefficient (log Pow) value of the substance 3 -[(2S)-1 -methylpyrrolidin-2 -yl]pyridine; sulfuric acid was estimated to be 0.4.

Thus, based on the available information, the logPow valueof the test substance 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; sulfuric acidranges from 0.16 to 0.4, respectively. On the basis of this value, chemical3 -[(2S)-1 -methylpyrrolidin-2 -yl]pyridine; sulfuric acidcan be considered to behydrophilicin nature.

 

Water solubility:

WSKOW v1.42 was used to estimate the water solubility of nicotine sulphate.

The estimated water solubility of nicotine sulphate at 25 deg C was 10300 mg/l.

Based on the estimated value, nicotine sulphate was very soluble in water.

Surface tension:

In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. Nicotine sulfate (CAS no. 65-30-5) is used as a pesticide, insecticide. For this use, surface activity is not an important property. Hence this study was considered for waiver.

Flash point:

The study does not need to be conducted because decomposition occurred during the melting point study.

Auto flammability:

Nicotine sulphate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that Nicotine sulphate is not auto-flammable.

Flammability:

Nicotine sulphate 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 Nicotine sulphate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Nicotine sulphate 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 substance is a solid.