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EC number: 205-393-4 | CAS number: 140-04-5
Endpoint summary
Administrative data
Description of key information
Appearance:
Based on available data from safety data sheet the chemical butyl 12-acetoxyoctadec-9-enoate was observed to be yellow coloured liquid in appearance having characteristic odour.
Freezing point:
Based on the prediction done using the EPI Suite MPVPBP V1.43,the freezing point of chemical butyl 12-acetoxyoctadec-9-enoate was predicted.
The Freezing point of chemical butyl 12-acetoxyoctadec-9-enoate was estimated to be 39.3 degree C.
Boiling point:
Based on available data from authoritative database ,the boiling point of chemical butyl 12-acetoxyoctadec-9-enoate was determined to be in the range of 200-220 deg C at 0.5 torr pressure.
Density:
Based on prediction done using ACD/I-Lab 2.0,the density of chemical butyl 12-acetoxyoctadec-9-enoate was estimated to be 0.931 ± 0.06 g/cm3.
Particle Size Distribution:
The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form.Butyl 12-acetoxyoctadec-9-enoate was observed to be yellow coloured liquid. Hence, this endpoint was considered for waiver.
Vapour Pressure:
MPBPVP v1.43 was used to estimate the vapour pressure of butyl 12-acetoxyoctadec-9-enoate. The estimated vapour pressure of butyl 12-acetoxyoctadec-9-enoate at 25 deg C was 0.000397 Pa = 2.98E-006 mm Hg.
Partition Coefficient:
KOWWIN v 1.68 was used to estimate the octanol water partition coefficient of butyl 12-acetoxyoctadec-9-enoate. The estimated logPow of butyl 12-acetoxyoctadec-9-enoate was 8.96.This value suggests that butyl 12-acetoxyoctadec-9-enoate is hydrophobic in nature, which is also supported by its low solubility in water.
Water Solubility:
WSKOW v1.42 was used to estimate the water solubility of butyl 12-acetoxyoctadec-9-enoate. The estimated water solubility of butyl 12-acetoxyoctadec-9-enoate at 25 deg C was 0.00007219 mg/l. This value suggests that 2 butyl 12-acetoxyoctadec-9-enoate is highly insoluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for butyl 12-acetoxyoctadec-9-enoate was predicted to be 33.1 ± 3.0 dyne/cm.
Flash point:
The flash point of butyl 12-acetoxyoctadec-9-enoate (140 -04 -5) was calculated to be 71.9223 degree C. Based on criteria mentioned in CLP regulation the substance butyl 12-acetoxyoctadec-9-enoate was considered to be non flammable.
Autoflammability:
Butyl 12-acetoxyoctadec-9-enoate did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that butyl 12-acetoxyoctadec-9-enoate is not auto-flammable.
Flammability:
Butyl 12-acetoxyoctadec-9-enoate 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 Butyl 12-acetoxyoctadec-9-enoate
is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus
Butyl 12-acetoxyoctadec-9-enoate
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 oxidising properties and hence, the classification procedure does not need to be applied
Additional information
Appearance:
Based on available data from safety data sheet the chemical butyl 12-acetoxyoctadec-9-enoate was observed to be yellow coloured liquid in appearance having characteristic odour.
Other supporting study from safety data sheet the chemical also indicates that butyl 12-acetoxyoctadec-9-enoate was observed to be yellow coloured liquid in appearance.
Freezing point:
Based on the prediction done using the EPI Suite MPVPBP V1.43,the freezing point of chemical butyl 12-acetoxyoctadec-9-enoate was predicted.
The Freezing point of chemical butyl 12-acetoxyoctadec-9-enoate was estimated to be 39.3 degree C.
Boiling point:
Based on available data from authoritative database ,the boiling point of chemical butyl 12-acetoxyoctadec-9-enoate was determined to be in the range of 200-220 deg C at 0.5 torr pressure.
Other suppottying study was based on the prediction done using the EPI Suite MPVPBP V1.43,the boiling point of chemicalbutyl 12-acetoxyoctadec-9-enoate was estimated to be 412.99 degree C.
As the data from authoritative database has experimental value,hence considered as key study for safety assessment.
Density:
Based on prediction done using ACD/I-Lab 2.0,the density of chemical butyl 12-acetoxyoctadec-9-enoate was estimated to be 0.931 ± 0.06 g/cm3.
Other supporting study from authoritative database,the density of chemical butyl 12-acetoxyoctadec-9-enoate was estimated to be 0.931±0.06 g/cm3 at 20 degree c , 760 torr pressure and from available safety data sheet the density of chemical was determined to be 0.931 g/cm3 at 25 degree C.
Particle Size Distribution:
The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form.Butyl 12-acetoxyoctadec-9-enoate was observed to be yellow coloured liquid. Hence, this endpoint was considered for waiver.
Vapour Pressure:
MPBPVP v1.43 was used to estimate the vapour pressure of butyl 12-acetoxyoctadec-9-enoate. The estimated vapour pressure of butyl 12-acetoxyoctadec-9-enoate at 25 deg C was 0.000397 Pa = 2.98E-006 mm Hg.
Partition Coefficient:
KOWWIN v 1.68 was used to estimate the octanol water partition coefficient of butyl 12-acetoxyoctadec-9-enoate. The estimated logPow of butyl 12-acetoxyoctadec-9-enoate was 8.96.This value suggests that butyl 12-acetoxyoctadec-9-enoate is hydrophobic in nature, which is also supported by its low solubility in water.
Water Solubility:
WSKOW v1.42 was used to estimate the water solubility of butyl 12-acetoxyoctadec-9-enoate. The estimated water solubility of butyl 12-acetoxyoctadec-9-enoate at 25 deg C was 0.00007219 mg/l. This value suggests that 2 butyl 12-acetoxyoctadec-9-enoate is highly insoluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for butyl 12-acetoxyoctadec-9-enoate was predicted to be 33.1 ± 3.0 dyne/cm.
Flash point:
The flash point of butyl 12-acetoxyoctadec-9-enoate (140 -04 -5) was calculated to be 71.9223 degree C. Based on criteria mentioned in CLP regulation the substance butyl 12-acetoxyoctadec-9-enoate was considered to be non flammable.
Autoflammability:
Butyl 12-acetoxyoctadec-9-enoate did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that butyl 12-acetoxyoctadec-9-enoate is not auto-flammable.
Flammability:
Butyl 12-acetoxyoctadec-9-enoate 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 Butyl 12-acetoxyoctadec-9-enoate
is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus
Butyl 12-acetoxyoctadec-9-enoate
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 oxidising properties and hence, the classification procedure does not need to be applied
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