Registration Dossier
Registration Dossier
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EC number: 219-307-8 | CAS number: 2408-20-0
Endpoint summary
Administrative data
Description of key information
Appearance / physical state / colour:
The appearance of Allyl propionate was observed as Colorless to pale-yellow colored liquid organic compound.
Melting point/ Freezing point:
Based on prediction done using MPBPVP v1.43, the freezing point of chemical Allyl propionate was estimated to be -58.21 ˚C.
Boiling point:
The boiling point of Allyl propionate was determined to be 124 °C.
Density:
The density of Allyl propionate was determined to be 0.9140 g/cm3 at 20°C.
Particle size distribution (Granulometry):
In accordance with column 2 of Annex VII of the REAcH regulation this end point was considered for waiver since the chemical Allyl propionate is a liquid and is expected to be marketed or used in a non solid or granular form.
Vapour pressure:
The vapour pressure of Allyl propionate was determined to be 133.26 Pa at Tmin = -8.02 °C and 399918.9 Pa at Tmax = 173.08 °C.
Partition Coefficient:
The octanol water partition coefficent (log Pow) of chemical 2-Propenyl Propanoate was estimated to be 1.71 at temparature 25oC. By this log Pow value chemical 2-Propenyl Propanoate is considered as hydrophilic in nature.
Water solubility:
The estimated water solubility of Allyl propionate at 25 deg C was 3649 mg/l
Surface tension:
The surface tension for chemical Allyl propionate was predicted to be 25.9 ± 3.0 dyne/cm.
Flash point:
The flash point of Allyl propionate was estimated as 33.5 ± 14.5 °C.
Autoflammability:
The study does not need to be conducted because the substance is pyrophoric (The chemical Allyl propionate is a flammable liquid with the flash point reported to be 33.5 ± 14.5 degree C. Therefore it is not recommended to conduct testing for auto flammability. Thus, this end point was considered for waiver.)
Flammability:
The study does not need to be conducted because the substance is a liquid (The chemical Allyl propionate is a flammable liquid having a reported flash point of 33.5 ± 14.5 degree C. Therefore it is not recommended to conduct testing for flammability. Thus, this end point was considered for waiver.)
The chemicalAllyl propionateis considered to be flammable for the purpose of chemical safety assessment.
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 there are no chemical groups present in the molecule which are associated with oxidizing properties and hence the classification procedure does not need to be applied.
Additional information
Appearance / physical state / colour:
Based on available data from handbook and review article, the appearance of Allyl propionate was observed as Colorless to pale-yellow colored liquid organic compound.
Melting point/ Freezing point:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the freezing point of chemical Allyl propionate was predicted.
The freezing point of chemical Allyl propionate was estimated to be -58.21 ˚C
Boiling point:
Based on available data from authoritative databases and handbook, the boiling point of Allyl propionate was determined to be 124 °C.
Another supporting studies from handbook and review article also suggested the boiling point of Allyl propionate at 123 °C and 122-123°C, these values are nearly closer to the selected key value.
Density:
Based on available data from handbook, the density of Allyl propionate was determined to be 0.9140 g/cm3 at 20°C.
Other supporting data from handbook and authoritative database Scifinder, also suggested the density of Allyl propionate as 0.912-0.917 g/cm3 at 25°C and 0.9245 g/cm3 at 20°C respectively, much closer to the selected key value.
Particle size distribution (Granulometry):
In accordance with column 2 of Annex VII of the REAcH regulation this end point was considered for waiver since the chemical Allyl propionate is a liquid and is expected to be marketed or used in a non solid or granular form.
Vapour pressure:
Based on available data from handbook, the vapour pressure of Allyl propionate was determined to be 133.26 Pa at Tmin = -8.02 °C and 399918.9 Pa at Tmax = 173.08 °C.
Other supporting studies from modelling databases (MPBPVP v1.43 of EPI SUITE) and authoritative database, estimated the vapour pressure of Allyl propionate as 1747 Pa, at 25 °C.
One more supporting study from authoritative database Scifinder, also estimated the vapour pressure of Allyl propionate as 1853 Pa at
25 °C
Partition Coefficient:
The octanol water partition coefficent (log Pow) of chemical 2-Propenyl Propanoate was estimated to be 1.71 at temparature 25oC. By this log Pow value chemical 2-Propenyl Propanoate is considered as hydrophilic in nature.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of the Allyl propionate. The estimated water solubility of the Allyl propionate at 25 deg C was 3649 mg/l.
Based on the estimated value, the Allyl propionate was soluble in water.
Surface tension:
Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical Allyl propionate was predicted to be 25.9 ± 3.0 dyne/cm.
Flash point:
Based on available data from authoritative database Scifinder, the flash point of Allyl propionate was estimated as 33.5 ± 14.5 °C.
Thus accroding to estimated value the given chemical was classified as flammable liquid compound, undercategory 3 in accordance with CLP regulation.
Autoflammability:
The study does not need to be conducted because the substance is pyrophoric (The chemical Allyl propionate is a flammable liquid with the flash point reported to be 33.5 ± 14.5 degree C. Therefore it is not recommended to conduct testing for auto flammability. Thus, this end point was considered for waiver.)
Flammability:
The study does not need to be conducted because the substance is a liquid (The chemical Allyl propionate is a flammable liquid having a reported flash point of 33.5 ± 14.5 degree C. Therefore it is not recommended to conduct testing for flammability. Thus, this end point was considered for waiver.)
The chemicalAllyl propionateis considered to be flammable for the purpose of chemical safety assessment.
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 there are no chemical groups present in the molecule which are associated with oxidizing properties and hence the classification procedure does not need to be applied.
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