(±)-menthone

Endpoint summary

Description of key information

Appearance:

On the basis of physical observation,the chemical (±)-menthone was observed to be colourless mobile liquid in appearance.

Freezing point:

The Freezing point determination of (±)-menthone (CAS No.1074 -95-9) was done using crushed ice and salt. No freezing was observed up to -9.60°C. Hence, the freezing point was inferred to be less than -9.60 °C at 978.1 hPa.

Boiling point:

The boiling point determination of (±)-menthone (CAS No. 1074-95-9) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 199.6°C at 977.8 hPa.

Density:

The density of  (±)-menthone (CAS No. 1074-95-9 ) was determined following OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)] The mean density of the (±)-menthone was determined to be 1.116 g/cm³ at 20°C and 977.7 hPa.

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.

Vapour Pressure:

MPBPVP v1.43 was used to estimate the vapour pressure of the(±)-menthone. The value estimated was the mean ofAntoine & Grain methods.The estimated vapor pressure of (±)-menthone was 49.4 Pa= 0.37 mmHg at 25 deg C.

Partition Coefficient:

The partition Coefficient n-octanol/water of (±)-menthone(CAS No.1074-95-9) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances had Pow value ranging from 1.3 to 4.2. The Log Pow value was determined to be 1.9511± 0.0026 at 25°C.

Water Solubility:

WSKOW v1.42 was used to estimate the water solubility of (±)-menthone.

The estimated water solubility of (±)-menthone at 25 deg C was 180.5 mg/l. This value suggests that (±)-menthone is moderately soluble in water.

Surface tension:

The study need only be conducted if surface activity is a desired property of the chemical. The (±)-menthone (CAS No. 1074-95-9) is used as a flavoring agent. For this use, surface activity is not an important property. Hence this study was considered for waiver.

Flash point:

The flash point determination of test substance (±)-menthone (CAS No 1074 -95 -9) was done as per the test guideline OECD 103. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determined to be 79.6°C at 980.9 hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the

(±)-menthone (CAS No 1074 -95 -9) was considered to be non-flammable.

Autoflammability:

2-isopropyl-5 -methylcyclohexanone did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 2-isopropyl-5 -methylcyclohexanon is not auto-flammable.

Flammability:

2-isopropyl-5-methylcyclohexanone was nonflammable liquid.

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

pH

pH of 1% w/v aqueous solution of the test substance (±)-menthone (CAS No.1074-95-9) is 5.82 at 26 °C. Thus, 1% solution can be considered to be acidic in nature.

Viscosity:

The viscosity determination of substance  (±)-menthone (CAS No. 1074-95-9 )was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of (±)-menthone  at 20°C and 40°C is 17.42 mm²/sec and 15.12 mm²/s, respectively. Dynamic viscosity (calculated) of (±)-menthone at 20°C and 40°C is 19.44 mPa.S and 16.88 mPa.S, respectively.

Additional information

Appearance:

On the basis of physical observation,the chemical (±)-menthone was observed to be colourless mobile liquid in appearance.

Other supporting data from SAX handbook of of Dangerous Industrial Materials also indicates the substance (±)-Menthone to be colorless oily mobile liquid with slight peppermint odor.

Freezing point:

The Freezing point determination of (±)-menthone (CAS No.1074-95-9) was done using crushed ice and salt. No freezing was observed up to -9.60°C. Hence, the freezing point was inferred to be less than -9.60 °C at 978.1 hPa.

Boiling point:

The boiling point determination of (±)-menthone (CAS No. 1074-95-9) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 199.6°C at 977.8 hPa.

Other supporting data from SAX's Handbook of Dangerous Industrial Materials indicates the boiling point of (±)-menthone as 207°C., which is close to the selected key value.

Density:

The density of  (±)-menthone (CAS No. 1074-95-9 ) was determined following OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)] The mean density of the (±)-menthone was determined to be 1.116 g/cm³ at 20°C and 977.7 hPa.

Other supporting data from Sax's Handbook of Dangerous Industrial Materials indicates the density of (±)-menthone as 0.897g/cm³ at 15 deg C, which is close to the selected key value.

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.

Vapour Pressure:

MPBPVP v1.43 was used to estimate the vapour pressure of (±)-menthone. The value estimated was the mean of Antoine & Grain methods. The estimated vapor pressure of(±)-menthone was49.4 Pa= 0.37 mmHg at 25 deg C.

Other supporting data from ChemIDplus database indicates the estimatedvapor pressure of (±)-menthone as 0.27 mmHg at 25 deg C, which is close to selected key value.

Partition Coefficient:

The partition Coefficient n-octanol/water of (±)-menthone(CAS No.1074-95-9) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances had Pow value ranging from 1.3 to 4.2. The Log Pow value was determined to be 1.9511± 0.0026 at 25°C.

Other supporting data from Journal (experimental) and modelling database (predicted) indicates the octanol- water partition coefficient for (±)-menthone as 3.05 and 2.87 respectively.

The experimental and estimated values suggests that (±)-menthone is hydrophilic in nature, which also supported by its solubility in water.

Water Solubility:

WSKOW v1.42 was used to estimate the water solubility of (±)-menthone.

The estimated water solubility of (±)-menthone at 25 deg C was 180.5 mg/l.This value suggests that (±)-menthone is moderately soluble in water.

Surface tension:

The study need only be conducted if surface activity is a desired property of the chemical. The (±)-menthone (CAS No. 1074-95-9) is used as a flavoring agent. For this use, surface activity is not an important property. Hence this study was considered for waiver.

Flash point:

Various studies for the(±)-menthone (CAS No 1074 -95 -9)were reviewed to summarize the following information:

The flash point determination of test substance (±)-menthone (CAS No 1074 -95 -9) was done as per the test guideline OECD 103. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determined to be 79.6°C at 980.9 hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the (±)-menthone (CAS No 1074 -95 -9) was considered to be non-flammable.

The flash point available for (±)-menthone (CAS No 1074 -95 -9) from handbooks .From the available data the flashpoint of the test substance was determined to be 68.8889 °C.

As data available for flash point from laboratory and handbooks, the data from laboratory report has K1 reliability and the test was performed using OECD guidelines which have the value of flash point as79.6°C at 980.9 hPathus considered as key study for the chemical safety assessment. Also based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence(±)-menthone (CAS No 1074 -95 -9) was considered to be non-flammable.

Autoflammability:

2-isopropyl-5 -methylcyclohexanone did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 2-isopropyl-5 -methylcyclohexanon is not auto-flammable.

Flammability:

2-isopropyl-5-methylcyclohexanone was nonflammable liquid.

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

pH

pH of 1% w/v aqueous solution of the test substance (±)-menthone (CAS No.1074-95-9) is determined to be 5.82 at 26 °C. Thus, 1% solution can be considered to be

acidic in nature.

Viscosity:

The viscosity determination of substance  (±)-menthone (CAS No. 1074-95-9 )was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of (±)-menthone  at 20°C and 40°C is 17.42 mm²/sec and 15.12 mm²/s, respectively. Dynamic viscosity (calculated) of (±)-menthone at 20°C and 40°C is 19.44 mPa.S and 16.88 mPa.S, respectively.