Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance / physical state / colour:

The d-Carvone was observed to be Colorless to light yellow liquid with reminiscent of caraway odour in appearance.

Melting point/ Freezing point:

The freezing point of d-Carvone is determined to be less than 15 °C.

Boiling point:

The mean boiling point of (S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one (CAS No.2244-16-8) was 233.9°C at 978.7 hPa.

Density:

The mean density of (S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one (CAS No. 2244-16-8) was found to be 0.9580 g/cm³at 20°C and 978.9 hPa.

Particle size distribution (Granulometry):

Granulometry (particle size distribution) is a property that is relevant only to solids. Since d-Carvone is a liquid substance this testing was not scientifically possible and hence this end point was considered to be waived.

Vapour pressure:

The vapour pressure of d-Carvone is determined to be 2066.49 Pa at 25 °C and 4172.99 Pa at 42 °C respectively.

Partition coefficient:

Octanol water partition coefficient of the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one (CAS no.2244 -16 -8) was estimated. The estimated log POW of the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one was 3.07 dimesionless. On the basis of estimated value, the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one can be considered as hydrophilic in nature.

Water solubility:

The water solubility for the test item (S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one was determined to be 1879.65 mg/L at 25°C.

Surface tension:

Based on the prediction done by ACD labs, the surface tension for chemical d-Carvone was predicted to be  29.8 ± 3.0 dyne/cm.

Flash point:

The flash point of d-Carvone is determined to be 93 °C.

Autoflammability:

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

Flammability:

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

pH:

The pH of 1% w/v solution of the test item (S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one (CAS No2244-16-8) was 5.71 at 25 °C.

Additional information

Appearance / physical state / colour:

Based on available data from obtained report, the d-Carvone was observed to be a Colorless liquid with reminiscent of caraway odour in appearance.

Other supporting data from various handbooks, authoritative databases publications, and secondary sources, also observed the physical appearance of d-Carvone as Colorless to light yellow liquid with reminiscent of caraway odour in appearance.

Melting point/ Freezing point:

Based on available data from handbooks and authoritative database, the freezing point of d-Carvone is determined to be less than 15 °C.

Boiling point:

The boiling point determination of (S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one (CAS No. 2244-16-8) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was found to be

233.9°C at 978.7 hPa.

Other supporting data from handbooks, secondary sources and authoritative database, also supported the selected key study and exhibited the boiling point of d-Carvone as 230°C, 231 °C and 230 -231 °C respectively, very much closer to the selected key value.

Density:

The density of test item (S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one (CAS No. 2244-16-8) was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using glass pyknometer. The mean density of test item was found to be 0.9580 g/cm³at 20°C and 978.9 hPa..

Other supporting data from handbooks, secondary sources and authoritative databases, also supported the selected key study and exhibited the density of d-Carvone as 0.96 g/cm3 at 20 °C, very much closer to the selected key value.

One more supporting data from handbooks, also supported the selected key study and exhibited the density of d-Carvone in the range of 0.956 - 0.960 g/cm3 at 25 °C, closer to the selected key value.

Particle size distribution (Granulometry):

Granulometry (particle size distribution) is a property that is relevant only to solids. Since d-Carvone is a liquid substance this testing was not scientifically possible and hence this end point was considered to be waived.

Vapour pressure:

Based on available data from authoritative databases, the vapour pressure of d-Carvone is determined to be 2066.49 Pa at 25 °C and 4172.99 Pa at 42 °C respectively.

Partition coefficient:

Octanol water partition coefficient of the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one (CAS no.2244 -16 -8) was estimated. The estimated log POW of the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one was 3.07 dimesionless. On the basis of estimated value, the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one can be considered as hydrophilic in nature.

Water solubility:

The water solubility determination of test item (S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one or d-carvone (CAS No. 2244-16-8) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101.

The solubility of (S)-2- methyl-5-(1-methylvinyl)cyclohex-2-en-1-one or d-carvone of (CAS No. 2244-16-8) in water was determined to be 1879.65 mg/L at 25°C.

Other supporting data from authoritative databases, also determined the water solubility of d-Carvone as 1300 mg/L at 18 °C.

Hence based on obtained values the given compound is considered to be soluble in water.

Surface tension:

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical d-Carvone was predicted to be 29.8 ± 3.0 dyne/cm.

Flash point:

Based on available data from handbooks, the flash point of d-Carvone is determined to be 93 °C.

Other supporting data from authoritative databases, also supported the selected key study and determined the flash point of d-Carvone as 88 °C, closer to the selectedv key value.

Thus accroding to obtained value the given chemical was not classified as flammable.

Autoflammability:

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

Flammability:

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

pH:

The pH determination of test item (S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one (CAS No. 2244-16-8) was done as per the test guideline OECD 122. The mean pH of the test solution was determined with the help of digital pH meter.

pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 5.71 at 25 °C.