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EC number: 203-344-1 | CAS number: 105-90-8
Endpoint summary
Administrative data
Description of key information
Appearance:
Chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate physically appear as a colorless liquid having fruit-flowery odor.
Melting point:
Based on prediction done using MPBPVP v1.43,the freezing point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate was estimated to be 4.53 Deg C.
Boiling Point:
Boiling point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate determine to be 253 Deg C.
Density:
Density of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate determine to be 0.9963 g/cm3 at temperature 25 Deg 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. Chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate physically appear as a liquid.
Vapour pressure:
The estimated vapour pressure of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate at 25 deg C was 3.09 Pa.
Partition coefficient:
Based on the available data from modeling databases using the KOWWIN V1.68 programme, octanol water partition coefficient (log Pow) value of the test substance (2E)-3,7 -dimethylocta-2,6 -dien-1 -yl propanoate was estimated to be 4.97. Thus, on the basis of logPow value, chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate can be considered to be hydrophobic in nature.
Water solubility:
The estimated water solubility of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate at 25 deg C was 2.22 mg/l.
Surface tension:
Based on the data from ACD labs, surface tension for (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate was predicted to be 0.0288 N/m.
Flash point:
Flash point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate determine to be 100 Deg C.
Auto flammability:
(2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate is not auto-flammable.
Flammability:
(2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate 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 (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate 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.
Oxidizing 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:
Chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate physically appear as a colorless liquid having fruit-flowery odor.
From other reliable sources it is concluded that (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate physically appear as a colorless liquid having fruit-rosy odor.
Melting point:
Based on the prediction done using the EPI Suite MPVPBP V1.43,the freezing point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate was predicted.
The freezing point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate was estimated to be 4.53 ˚C.
Boiling Point:
Boiling point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate determine to be 253 Deg C.
From other reliable sources it is concluded that Boiling point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate concluded to be 289.85 Deg C & 128 Deg C at pressure 1.999 kPa.
Density:
Density of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate determine to be 0.9963 g/cm3 at temperature 25 Deg C.
From other reliable sources it is concluded that Density of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate concluded in the range in between 0.896 to 0.913 g/cm3.
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. Chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate physically appear as a liquid.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate at 25 deg C was 3.09 Pa.
Partition coefficient:
Based on the available data in a key study from modeling database using the KOWWIN V1.68 programme, octanol water partition coefficient (log Pow) value of the test substance (2E)-3,7 -dimethylocta-2,6 -dien-1 -yl propanoate was estimated to be 4.97.
Additional supporting study from authoritative database indicates that the partition coefficient (log Pow) value of the substance (2E)-3,7 -dimethylocta-2,6 -dien-1 -yl propanoate was estimated to be 4.97.
Thus, on the basis of logPow value, chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate can be considered to be hydrophobic in nature.
Water solubility:
The estimated water solubility of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate at 25 deg C was 2.22 mg/l.
Based on the estimated value, (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate was slightly soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate was predicted to be 0.0288 N/m.
Flash point:
Flash point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate determine to be 100 Deg C.
From the other reliable sources flash point of (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate concluded to be 99 Deg C.
Auto flammability:
(2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that (2E)-3,7 -dimethylocta-2,6-dien-1-yl propanoate is not auto-flammable.
Flammability:
(2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate 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 (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate 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.
Oxidizing 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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