Cinnamonitrile

Endpoint summary

Description of key information

Appearance / physical state / colour:

The appearance of Cinnamonitrile was observed to be a colorless-yellow colored organic liquid compound.

Melting point/ Freezing point:

The freezing point of Cinnamonitrile was determined to be 22 °C.

Boiling point:

The boiling point of Cinnamonitrile was determined to be 263.8 °C.

Density:

The density of Cinnamonitrile was determined to be 1.0304 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 Cinnamonitrile is a liquid and is expected to be marketed or used in a non solid or granular form.

Vapour pressure:

The vapour pressure of Cinnamonitrile was determined to be 1.1999 Pa at 20 deg C

Partition coefficient:

Octanol water partition coefficient of test chemical (E)-3-phenylprop-2-enenitrile (CAS no. 1885 -38 -7) was dertmined by using HPLC method. log Pow test chemical (E)-3-phenylprop-2-enenitrile obtained was 1.96. On the basis of log Pow value it is concluded that this test chemical is hydrophilic in nature.

Water solubility:

The water solubility of Cinnamonitrile was determined to be 1067 mg/l at 25 deg C.

Surface tension:

Based on the prediction done by ACD labs, the surface tension for chemical Cinnamonitrile was predicted to be 43.8 ± 3.0 dyne/cm

Flash point:

The flash point of Cinnamonitrile was estimated as 105.2 ± 11.2 °C.

Autoflammability:

Cinnamonitrile did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Cinnamonitrile is not auto-flammable.

Flammability:

Cinnamonitrile 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 Cinnamonitrile is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Cinnamonitrile 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 obtained reports, the appearance of Cinnamonitrile was observed to be a colorless-yellow colored organic liquid compound.

Melting point/ Freezing point:

Based on available data from handbooks and authoritative databases, the freezing point of Cinnamonitrile was determined to be 22 °C.

Boiling point:

Based on available data from handbooks and authoritative databases, the boiling point of Cinnamonitrile was determined to be 263.8 °C.

Other supporting study from handbook, exhibited the boiling point of Cinnamonitrile at 254.55 °C, closer to the selected key study.

Density:

Based on available data from handbooks, the density of Cinnamonitrile was determined to be 1.0304 g/cm3 at 20 °C.

Other supporting study from authoritative database Scifinder, also supported the selected key study and exhibited density for Cinnamonitrile as 1.0374 g/cm3 at 15.2 °C, very 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 Cinnamonitrile 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 reputed publication, the vapour pressure of Cinnamonitrile was determined to be 1.1999 Pa at 20 deg C.

Other supporting study from EPI SUITE (Mean of Antoine and Modified Grain methods), estimated the vapour pressure of the substance Cinnamonitrile as 1.73 Pa at 25 deg C.

Partition coefficient:

Octanol water partition coefficient of test chemical (E)-3-phenylprop-2-enenitrile (CAS no. 1885 -38 -7) was dertmined by using HPLC method. log Pow test chemical (E)-3-phenylprop-2-enenitrile obtained was 1.96. On the basis of log Pow value it is concluded that this test chemical is hydrophilic in nature.

Water solubility:

Based on available data from publication and authoritative databases, the water solubility of  Cinnamonitrile was determined to be 1067 mg/l at 25 deg C.

Surface tension:

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical Cinnamonitrile was predicted to be 43.8 ± 3.0 dyne/cm

Flash point:

Based on available data from authoritative database Scifinder, the flash point of Cinnamonitrile was estimated as 105.2 ± 11.2 °C. Thus accroding to estimated value the given chemical was not classified as flammable.

Autoflammability:

Cinnamonitrile did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Cinnamonitrile is not auto-flammable.

Flammability:

Cinnamonitrile 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 Cinnamonitrile is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Cinnamonitrile 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.