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EC number: 212-855-9 | CAS number: 873-94-9
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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.
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