Registration Dossier
Registration Dossier
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EC number: 244-034-6 | CAS number: 20780-49-8
Endpoint summary
Administrative data
Description of key information
Appearance
The appearance of test chemical was observed as a colourless liquid with a medium, fresh, waxy, clean, rose, sweet, fruity, honey odor.
Freezing point
Based on the data available from peer reviewed journal and secondary source, the freezing point of test chemical was estimated to be -8.81˚C.
Boiling point
Based on the available data in a key study from handbooks, the boiling point of test chemical was determined as 109 -110°C at 12 mm Hg pressure.
Density
Based on the available data from authoritative database, thedensity of test chemical was determined as 0.868 g/cm³ at 20 °C.
Particle size distribution
In accordance with column 2 of Annex VII of the REACH regulation, testing for this end pointis scientifically not necessary and does not need to be conducted since the test chemicalmarketed or used in a non-solid or granular form, i.e, the test chemical is liquid (form) in nature.
Vapour pressure
Based on the available data from peer reviewed journal and authoritative databases, the vapour pressure of the test chemical was estimated using the Modified Grain method (Mean of Antoine and Modified Grain methods) of MPBPVP v1.43 of EPI suite. The vapour pressure of the test chemical was estimated to be 12.1 Pa at25 deg C.
Partition coefficient
Based on the available data from peer reviewed journal, secondary source and modelling databases,the log Pow of the test chemical was estimated to be 4.65. On the basis of this value, test chemical can be considered to be hydrophobic in nature.
Water solubility
Based on the available data from peer reviewed journal, secondary source and modelling databases,the water solubility of the test chemical was estimated to be 4.7 mg/l at 25 deg C. On the basis of this value, test chemical was considered to be slightly soluble in water.
Surface tension
On the basis of available data from authoritative and modelling databases, the surface tension for test chemical was estimated to be 27.5 ± 3.0 mN/m.
Flash point
Based on the available data from peer reviewed journal, the flash point of the test chemical was determined to be 91°C. On the basis of this value, test chemical can be considered to be non-flammable.
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 the 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 as non-flammable.
Explosiveness
In accordance with column 2 of Annex VII of the REACH regulation, testing for this end pointis scientifically not necessary and 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 substance is a liquid.
Additional information
Appearance
On the basis of the key study, the appearance of test chemical was observed as a colourless liquid with a medium, fresh, waxy, clean, rose, sweet, fruity, honey odor.
From other supporting reliable sources & secondary source, test chemical physically appear as a colourless liquid.
Freezing point
Based on the data available from peer reviewed journal and secondary source, the freezing point of test chemical was estimated to be -8.81˚C.
Boiling point
Based on the available data in a key study from handbooks, the boiling point of test chemical was determined as 109 -110°C at 12 mm Hg pressure.
In a supporting study from secondary source, the boiling point of the test chemical was determined as 108°C at 14.25 mmHg pressure.
Another supporting study from authoritative databases indicates the boiling point of the test chemical was determined to be ranges from 104-108°C at 12 mmHg pressure.
Density
On the basis of the available data in a key study from authoritative database, thedensity of test chemical was determined as 0.868 g/cm³ at 20 °C.
In a supporting study from secondary source, thedensity/specific gravity of the test chemical was determined to be ranges from 0.860 – 0.875 g/cm³ 20 °C.
In a prediction done using ACD/I-Lab 2.0, the density of test chemical was estimated to be 0.867 ± 0.06 g/cm3.
Particle size distribution
In accordance with column 2 of Annex VII of the REACH regulation, testing for this end pointis scientifically not necessary and does not need to be conducted since the test chemicalmarketed or used in a non-solid or granular form, i.e, the test chemical is liquid (form) in nature.
Vapour pressure
Based on the available data in a key study from peer reviewed journal and authoritative databases, the vapour pressure of the test chemical was estimated using the Modified Grain method (Mean of Antoine and Modified Grain methods) of MPBPVP v1.43 of EPI suite. The vapour pressure of the test chemical was estimated to be 12.1 Pa at25 deg C.
In a supporting study from handbook, the vapour pressure of test chemical was calculated using the Antoine equation and the vapour pressure value was evaluated to be 133.30 Pa at Tmax = 294.10°C and 399977.0 Pa at Tmin = 69.92°C.
Another supporting study from secondary source indicates that the estimatedvapour pressure of the test chemical at 25 deg C was 12.93 Pa.
Partition coefficient
Based on the available data from peer reviewed journal, secondary source and modelling databases,the log Pow of the test chemical was estimated to be 4.65. On the basis of this value, test chemical can be considered to be hydrophobic in nature.
Water solubility
Based on the available data from peer reviewed journal, secondary source and modelling databases,the water solubility of the test chemical was estimated to be 4.7 mg/l at 25 deg C. On the basis of this value, test chemical was considered to be slightly soluble in water.
Surface tension
On the basis of available data from authoritative and modelling databases, the surface tension for test chemical was estimated to be 27.5 ± 3.0 mN/m.
Flash point
Based on the available data from peer reviewed journal, the flash point of the test chemical was determined to be 91°C. On the basis of this value, test chemical can be considered to be non-flammable.
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 the 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 as non-flammable.
Explosiveness
In accordance with column 2 of Annex VII of the REACH regulation, testing for this end pointis scientifically not necessary and 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 substance is a liquid.
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