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EC number: 203-128-7 | CAS number: 103-61-7
Endpoint summary
Administrative data
Description of key information
Appearance / physical state / colour:
The appearance of Cinnamyl butyrate was observed as Colorless to yellowish liquid organic compound with fruity, slightly floral odor.
Melting point/ Freezing point:
The freezing point of Cinnamyl butyrate was determined to be less than -3.16 °C
Boiling point:
The boiling point of Cinnamyl butyrate was determined to be 300 °C.
Density:
The density of Cinnamyl butyrate was determined to be 1.010-1.015 g/cm3 at 25 °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 given chemical Cinnamyl butyrate is a liquid and is expected to be marketed or used in a non solid or granular form.
Vapour pressure:
The estimated vapour pressure of the substance Cinnamyl butyrate at 25 deg C was 0.317 Pa.
Partition coefficient:
The octanol water Partition coefficient is estimated for Cinnamyl butyrate using KOWWIN Program (v1.68). The estimated partition coefficient KOWWIN Program (v1.68) for Cinnamyl butyrate (CAS: 103-1-7) is Log Kow = 3.8303.
Water solubility:
The estimated water solubility of test substance Cinnamyl butyrate at 25 deg C was 22.29 mg/l
Surface tension:
Based on the prediction done by ACD labs, the surface tension for chemical Cinnamyl butyrate was predicted to be 37.3 ± 3.0 dyne/cm.
Flash point:
The flash point of Cinnamyl butyrate was determined to be greater than 100 °C.
Autoflammability:
Cinnamyl butyrate did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Cinnamyl butyrate is not auto-flammable.
Flammability:
Cinnamyl butyrate 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 Cinnamyl butyrate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Cinnamyl butyrate 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 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 handbooks and other authoritative databases, the appearance of Cinnamyl butyrate was observed as Colorless to yellowish liquid organic compound with fruity, slightly floral odor.
Melting point/ Freezing point:
Based on available data from obtained report, the freezing point of Cinnamyl butyrate was determined to be less than -3.16 °C
Boiling point:
Based on available data from handbooks and other authoritative databases, the boiling point of Cinnamyl butyrate was determined to be 300 °C.
Density:
Based on available data from handbook and authoritative databases, the density of Cinnamyl butyrate was determined to be 1.010 - 1.015 g/cm3 at 25 °C.
Other supporting study from handbook, also supported the selected key study and exhibited the density of Cinnamyl butyrate as 1.029 - 1.034 g/cm3, 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 given chemical Cinnamyl butyrate is a liquid and is expected to be 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 substance Cinnamyl butyrate using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the substance Cinnamyl butyrate at 25 deg C was 0.317 Pa.
Partition coefficient:
Following studies include the predicted datafor the target chemicalCinnamyl butyrate (CAS: 103-1-7) concluding the octanol water partition coefficient is summarized as follows:
The octanol water Partition coefficient is estimated for Cinnamyl butyrate using KOWWIN Program (v1.68). The estimated partition coefficient KOWWIN Program (v1.68) for Cinnamyl butyrate (CAS: 103-1-7) is Log Kow = 3.8303.
The predicted data for the target chemical is supported by the another estimationn by ACD/LAB, which accepts smiles of test item and estimated data for density using v12.1.0.50375. The estimated octanol water partition coeffecient for Cinnamyl butyrate (CAS:103-61-7) is 3.68.
Furhter it is supported by The octanol- water partition coefficient of theCinnamyl butyrate (CAS : 103-61-7)is estimated using OPERA V1.02.
The estimated LogPow of the Cinnamyl butyrate (CAS : 103-61-7) is 3.53.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of the substance Cinnamyl butyrate.
The estimated water solubility of the substance Cinnamyl butyrate at 25 deg C was 22.29 mg/l
Based on the estimated value, the substance Cinnamyl butyrate was considered to be slightly soluble in water.
Surface tension:
Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical Cinnamyl butyrate was predicted to be 37.3 ± 3.0 dyne/cm.
Flash point:
Based on available data from handbook, the flash point of Cinnamyl butyrate was determined to be greater than 100 °C. Thus, according to flash point value the chemical Cinnamyl butyrate was not classified as flammable.
Autoflammability:
Cinnamyl butyrate did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Cinnamyl butyrate is not auto-flammable.
Flammability:
Cinnamyl butyrate 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 Cinnamyl butyrate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Cinnamyl butyrate 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 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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