Products Description
Isophorone, alternatively named 1,1,3-trimethylcyclohexenone and scientifically designated as 3,5,5-trimethyl-2-cyclohexen-1-one, is a six-membered cyclic α,β-unsaturated ketone with the molecular formula C₉H₁₄O.
This compound is a colorless to pale yellow volatile liquid with a distinctive camphor-mint-like aroma and is naturally found in cranberries. Though insoluble in water, it dissolves freely in various organic solvents including ethanol, diethyl ether and acetone. It tends to form dimers under light irradiation and can be oxidized in air to generate 4,4,6-trimethyl-1,2-cyclohexanedione.
Isophorone Chemical Properties
| Melting point | -8 °C (lit.) |
| Boiling point | 213-214 °C (lit.) |
| Density | 0.923 g/mL at 25 °C (lit.) |
| Vapor density | 4.77 (vs air) |
| Vapor pressure | 0.2 mm Hg ( 20 °C) |
| Refractive index | n20/D 1.476(lit.) |
| FEMA | 3553 | ISOPHORONE |
| Fp | 184 °F |
| Storage temp | Store below +30°C. |
| Solubility | 14.5g/l |
| Form | Liquid |
| Color | Clear colorless to yellow |
| Odor | Like camphor. |
| Odor Type | woody |
| Explosive limit | 0.8-3.8%(V) |
| Water Solubility | Soluble in water (12g/L). |
| Merck | 145196 |
| JECFA Number | 1112 |
| BRN | 1280721 |
| Henry's Law Constant | (x 10-6 atm?m3/mol): 5.8 (calculated, U.S. EPA, 1980a) |
| Exposure limits | TLV-TWA 25 mg/m3 (5 ppm); IDLH 800 ppm. |
| Stability | Stable. Substances to be avoided include strong bases, strong acids and strong oxidizing agents. |
| LogP | 1.67-1.7 at 20℃ |
| CAS DataBase Reference | 78-59-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Cyclohexen-1-one, 3,5,5-trimethyl-(78-59-1) |
| EPA Substance Registry System | Isophorone (78-59-1) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 21/22-36/37-40 |
| Safety Statements | 13-23-36/37/39-46 |
| RIDADR | UN 3082 9 / PGIII |
| WGK Germany | 1 |
| RTECS | GW7700000 |
| Autoignition Temperature | 864 °F |
| TSCA | Yes |
| HS Code | 2914 29 00 |
| Hazardous Substances Data | 78-59-1(Hazardous Substances Data) |
| Toxicity | LD50 in male, female rats and male mice (mg/kg): 2700 ±200, 2100 ±200, 2200 ±200 orally (PB90-180225) |
| IDLA | 200 ppm |
Product Application
This substance is a high-boiling-point solvent extensively employed in the pesticide, paint and can-coating industries.
It functions as an efficient solvent for greases, gums and a wide range of resins, and is especially well-suited for use with vinyl resins.
