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EC number: 204-832-7 | CAS number: 127-25-3
Endpoint summary
Administrative data
Description of key information
Appearance:
Based on available data from various reliable handbooks, the chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was observed to be an organic,odourless,colourless to yellow coloured liquid in appearance.
Freezing point:
Based on available data from various reliable authoritative database, the freezing point of chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was determined to be <25 degreeC.
Boiling point:
Based on available data from various reliable handbooks, the boiling point of chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was determined to be in the range of 360 degree C to 365 dergree C.
Density:
Based on available data from various reliable handbooks, the density of chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was determined to be 1.040 g/cm3 at 20 dergree 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:
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the chemicalmethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylateusing MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the test substance at 25deg C was0.00887 Pa.
Partition Coefficent: Octanol water partition coefficient of the methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate (CAS no. 127 -25 -3) was estimated. The estimated log Pow is 6.75. On the basis of estimated value, the methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate can be considered as hydrophobic in nature.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of themethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
The estimated water solubility of themethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylateat 25 deg C was 0.017 mg/l. Based on the estimated value, the test substance was insoluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was predicted to be 36.8 ± 5.0 dyne/cm.
Flash point:
Based on available data from various reliable handbooks,the flash point of chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was determined to be 180 degree C.
Auto-flammability:
Methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylatedid not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 2-phenylethyl benzoate is not auto-flammable.
Flammability:
Methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate 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 methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate 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 non-flammable for 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 the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied
Additional information
Appearance:
Based on available data from various reliable handbooks, the chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was observed to be an organic,odourless,colourless to yellow coloured liquid in appearance.
Other supporting study from various reliable handbooks also indicates that the chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was observed to be an organic colourless to yellow coloured liquid in appearance.
Freezing point:
Based on available data from various reliable authoritative database, the freezing point of chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was determined to be <25 degreeC.
Boiling point:
Based on available data from various reliable handbooks, the boiling point of chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was determined to be in the range of 360 degree C to 365 dergree C.
Other supporting studies from reliable sources such as authoritative database and handbook also indicates that the boiling point of chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was determined to be in the range of 362.5 degreeC to 365 dergree C.
Density:
Based on available data from various reliable handbooks, the density of chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was determined to be 1.040 g/cm3 at 20 dergree C.
Other supporting studies from various reliable sources such as authoritative database and reliable handbook also indicates that the density of chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was determined to be in the range of 1.033 g/cm3 to 1.049 g/cm3 at 20 degree C and selected key study value lies in the range as mentioned.
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:
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the chemicalmethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the test substance at 25deg C was 0.00887 Pa.
Partition coefficent:
Octanol water partition coefficient of the methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate (CAS no. 127 -25 -3) was estimated. The estimated log Pow is 6.75. On the basis of estimated value, the methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate can be considered as hydrophobic in nature.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of themethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
The estimated water solubility of themethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylateat 25 deg C was 0.017 mg/l. Based on the estimated value, the test substance was insoluble in water.
Other supporting studies from various reliable sources such as authoritative database and handbook also indicates that the estimated water solubility of chemicalmethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylatewas 0.05278 mg/L at 25 degree C,indicating that the test chemical is insoluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was predicted to be 36.8 ± 5.0 dyne/cm.
Flash point:
Based on available data from various reliable handbooks,the flash point of chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was determined to be 180 degree C.
Other supporting studies from various reliable handbooks also indicates that the flash point of chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate was determined to be in the range of 180 degree C to 218 degree C.
Auto-flammability:
Methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylatedid not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 2-phenylethyl benzoate is not auto-flammable.
Flammability:
Methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate 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 methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate 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 non-flammable for 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 the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied
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