Substance profile
3,5,5-trimethylcyclohex-2-enone
3,5,5-trimethylcyclohex-2-enone is a water-white liquid with a peppermint-like odor.
01 · Identification
What 3,5,5-trimethylcyclohex-2-enon… is
3,5,5-trimethylcyclohex-2-enone is a water-white liquid with a peppermint-like odor. It boils at 215 °C, melts at -8.1 °C, is soluble in water.
Under the GHS it carries the signal word Warning. It is classed as hazardous Air Pollutants (HAPs).
Other names for 3,5,5-trimethylcyclohex-2-enon…
- isophorone
02 · GHS classification
Hazards and label elements
Harmonised classification under CLP Annex VI. This is the legally binding classification in the EU; other jurisdictions may differ.
| Code | Hazard statement |
|---|---|
| H351 | Suspected of causing cancer <state route of exposure if it is conclusively proven that no other routes of exposure cause the hazard>. |
| H312 | Harmful in contact with skin. |
| H302 | Harmful if swallowed. |
| H335 | May cause respiratory irritation. |
| H319 | Causes serious eye irritation. |
Precautionary statements: P201, P264, P270, P280, P301, P302, P305, P308, P312, P313, P330, P337, P338, P352
03 · Physical and chemical properties
3,5,5-trimethylcyclohex-2-enon… properties
Every value is shown with the conditions it was measured under and the source it came from. Where sources disagree, all values are listed rather than one being picked — the difference is usually a different form of the substance, not an error.
| Property | Value | Conditions | Source |
|---|---|---|---|
| Boiling point | 215.32 °C (419.6 °F) | HSDB | |
| 215 °C (419 °F) | NIOSH | ||
| 215.22 °C (419.4 °F) | at 760 mmHg | CAMEO | |
| Melting point | -8.1 °C (17.4 °F) | HSDB | |
| -8.33 °C (17 °F) | NIOSH | ||
| -7.78 °C (18 °F) | CAMEO | ||
| Density | 0.92 g/cm³ | NIOSH | |
| 0.9255 g/cm³ | at 20 °C | HSDB | |
| 0.9227 g/cm³ | at 20 °C | HSDB | |
| Solubility | Soluble in ether, acetone, alcohol | HSDB | |
| Has high solvent power for vinyl resins, cellulose esters, ether, and many substances soluble with difficulty in other solvents. | HSDB | ||
| In water, 12,000 mg/l @ 25 °C. | at 25 °C | HSDB | |
| Vapor pressure | 0.3 mmHg | NIOSH | |
| 0.2 mmHg | at 20 °C | CAMEO | |
| 0.438 mmHg | at 25 °C | HSDB | |
| Flash point | 84.44 °C (184 °F) | HSDB | |
| Autoignition temperature | 460 °C (860 °F) | HSDB | |
| 462.22 °C (864 °F) | CAMEO | ||
| Lower explosive limit (LEL) | 0.8 % by volume | HSDB | |
| Upper explosive limit (UEL) | 3.8 % by volume | HSDB | |
| Vapor density | 4.77 (air = 1) | HSDB | |
| 4.8 (air = 1) | ICSC | ||
| Odor threshold | Odor detection in air= 2.00 ppm. Purity not specified. | HSDB | |
| Odor recognition in air= 5.40 ppm. Purity not specified. | HSDB | ||
| 1 mg/cu m (odor low); 50 mg/cu m (odor high) | HSDB |
Values compiled from PubChem Laboratory Chemical Safety Summary. Temperatures converted to Fahrenheit for reference.
04 · Handling and storage
Storing and handling 3,5,5-trimethylcyclohex-2-enon…
Storage conditions
store in a cool, dry, well-ventilated location. Outside or detached storage is preferred. Separate from oxidizing materials.
Source: Hazardous Substances Data Bank (HSDB)
Incompatible materials
Incompatible with strong oxidizers
Source: Hazardous Substances Data Bank (HSDB)
Reactivity
Ketones, such as ISOPHORONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. Forms explosive peroxides
Source: CAMEO Chemicals
Planning storage for a mix of chemicals? Check 3,5,5-trimethylcyclohex-2… in the storage compatibility matrix →