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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance / physical state / colour

The appearance of 3,3,5-Trimethylcyclohexanone is observed to be colorless to light yellow clear liquid organic compound.

Melting point/Freezing point

The freezing point of 3,3,5-Trimethylcyclohexanone is determined to be -10°C.

Boiling point

The boiling point value for the test substance 3,3,5-Trimethylcyclohexanone was determined to be 189° C.

Density

The density value for the test substance 3,3,5-Trimethylcyclohexanone is determined to be 0.8919 g/cm3 at 19°C.

Particle size distribution (Granulometry)

The study does not need to be conducted because the substance is marketed or used in non-solid or granular form.

Vapour Pressure:

The calculated vapor pressure of 3,3,5-Trimethylcyclohexanone was 133.36 Pa at 30.98 °C and 399982.84 Pa at 252.63 °C.

Partition Coefficient

The partition coefficient (log Pow) value for the test substance 3,3,5-Trimethylcyclohexanone was determined to be 2.2 by shake flask method.

Water Solubility

The estimated water solubility of test substance 3,3,5-Trimethylcyclohexanone at 25 deg C was 724.3 mg/l.

Surface tension

The surface tension of  3,3,5-Trimethylcyclohexanone is determined to be 19.55 dyne/cm at 114.66 °C.

Flash point

The flash point of 3,3,5-Trimethylcyclohexanone is determined to be 64°C.

Auto Flammability

3,3,5-Trimethylcyclohexanone did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 3,3,5-Trimethylcyclohexanone is not auto-flammable.

Flammability

3,3,5-Trimethylcyclohexanone 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 3,3,5-Trimethylcyclohexanone is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3,3,5-Trimethylcyclohexanone was considered non-flammable.

Explosiveness

The study does not need to be conducted because there are no chemical groups present in the molecule that 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 that which are associated with oxidising properties and hence the classification procedure does not need to be applied.

Additional information

Appearance / physical state / colour

Based on available data from handbooks and authoritative databases, the appearance of 3,3,5-Trimethylcyclohexanone is observed to be colorless to light yellow clear liquid organic compound.

Melting point/Freezing point

Based on available data from handbook, the freezing point of 3,3,5-Trimethylcyclohexanone is determined to be -10°C.

Boiling point

Based on available data from authoritative databases and handbooks, the boiling point of chemical 3,3,5-Trimethylcyclohexanone was determined to be 189° C.

Other supporting data from handbooks, also supported the selected key study and exhibited the boiling point of 3,3,5-Trimethylcyclohexanone as 188 -192° C and 196.76° C.

Density

Based on available data from handbooks and authoritative databases, the density value for the test substance 3,3,5-Trimethylcyclohexanone was determined to be 0.8919 g/cm3 at 19°C.

Other supporting data from handbook, also supported the selected key study and exhibited the density value for the test substance 3,3,5-Trimethylcyclohexanone as 0.889 g/cm3 at 25°C.

Particle size distribution (Granulometry)

The study does not need to be conducted because the substance is marketed or used in non-solid or granular form.

Vapour Pressure:

Based on available data from handbook, the vapour pressure of 3,3,5-Trimethylcyclohexanone is calculated by using Antoine Coefficients and Antoine equation.The calculated vapor pressure of 3,3,5-Trimethylcyclohexanone was 133.36 Pa at 30.98 °C and 399982.84 Pa at 252.63 °C.

Other supporting study from EPI Suite estimated the vapour pressure of the test substance 3,3,5-trimethylcyclohexanone as 116 Pa at 25°C.

Partition Coefficient

Based on available data from authoritative database, the partition coefficient (log Pow) value for the test substance 3,3,5-Trimethylcyclohexanone was determined to be 2.2, when performed as per OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method).

Other supporting study data from authoritative databases, also estimated the partition coefficient (log Pow) of test substance 3,3,5-Trimethylcyclohexanone as 2.410.

The experimental and estimated values indicate that 3,3,5-trimethylcyclohexanone is hydrophillic in nature, which is also supported by its solubility in water.

Water Solubility

WSKOW v1.42 was used to estimate the water solubility of the test substance 3,3,5-Trimethylcyclohexanone.

The estimated water solubility of the test substance 3,3,5-Trimethylcyclohexanone at 25 deg C was 724.3 mg/l.

Based on the estimated value, the test substance 3,3,5-Trimethylcyclohexanone was considered to be modeately soluble in water.

Surface tension

Based on available data from reliable handbook, the surface tension of  3,3,5-Trimethylcyclohexanone is determined to be 19.55 dyne/cm at 114.66 °C.

Other supporting study from ACD labs Software (v12.1.0.50375) also estimated the surface tension for chemical 3,3,5-Trimethylcyclohexanone as 24.8 ± 3.0 dyne/cm.

Flash point

Based on available data from reliable handbook, the flash point of 3,3,5-Trimethylcyclohexanone is determined to be 64°C.

Hence, on basis of experimental value the given chemical is not classified as flammable.

Auto Flammability

3,3,5-Trimethylcyclohexanone did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 3,3,5-Trimethylcyclohexanone is not auto-flammable.

Flammability

3,3,5-Trimethylcyclohexanone 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 3,3,5-Trimethylcyclohexanone is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3,3,5-Trimethylcyclohexanone was considered non-flammable.

Explosiveness

The study does not need to be conducted because there are no chemical groups present in the molecule that 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 that which are associated with oxidising properties and hence the classification procedure does not need to be applied.