Isophorone
- 3,5,5-Trimethyl-2-cyclohexane-1-one
- 1,1,3-Trimethyl-3-cyclohexene-5-one
- Isoacetophorone
- 3,5,5-Trimethylcyclohex-2-enone
- 3,3,5-Trimethyl-5-cyclohexen-1-one
- 3,5,5-Trimetil-2-cicloesen-1-one
Isophorone | |
| |
| Formula | COCH=C(CH3)CH2C(CH3)2CH2 |
| Structure | |
| Description | Clear, colorless to light yellow liquid with a peppermint- or camphor-like odor. |
| Uses | Solvent for natural and synthetic resins, polymers, lacquers, plastics, waxes, fats and oils, gums, herbicides and pesticides. Indirect food additive for use only as a component of adhesives. Wood preservative. |
| Registry Numbers and Inventories. | |
| CAS | 78-59-1 |
| EC (EINECS/ELINCS) | 201-126-0 |
| EC Index Number | 606-012-00-8 |
| EC Class | Carcinogenic Category 3; Harmful; Irritant |
| EC Risk Phrase | R 21/22 36/37 40 |
| EC Safety Phrase | S 13 23 36/37/39 46 |
| RTECS | GW7700000 |
| RTECS class | Tumorigen; Mutagen; Reproductive Effector; Human Data; Primary Irritant |
| Merck | 13,5215 |
| Beilstein/Gmelin | 1280721 |
| Beilstein Reference | 4-07-00-00165 |
| EPA OPP | 47401 |
| Swiss Giftliste 1 | G-1709 |
| Canada DSL/NDSL | DSL |
| US TSCA | Listed |
| Austrailia AICS | Listed |
| New Zealand | Listed |
| Japan ENCS (MITI) | Listed |
| Korea ECL | Listed |
| Properties. | |
| Formula | C9H14O |
| Formula mass | 138.21 |
| Melting point, °C | -8 |
| Boiling point, °C | 215 |
| Vapor pressure, mmHg | 0.15 (25 C) |
| Vapor density (air=1) | 4.77 |
| Saturation Concentration | 395 ppm (0.04%) at 20 C; 579 ppm (0.06%) at 25 C (calculated) |
| Evaporization number | 0.023 (butyl acetate = 1); 330 (diethyl ether = 1) |
| Critical temperature | 421 |
| Critical pressure | 31.3 |
| Density | 0.922 g/cm3 |
| Solubility in water | 12 g/L (20 C) |
| Viscosity | 2.6 cP (20 C) |
| Surface tension | 30-32 g/s2 (20 C) |
| Refractive index | 1.4785 (20 C) |
| Dipole moment | 3.96 D |
| Partition coefficient, pKow | 1.67 |
| Heat of vaporization | 45.2 kJ/mol |
| Heat of combustion | -5408 kJ/mol |
| Hazards and Protection. | |
| Storage | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| WHMIS | B3 D2B |
| Handling | Wash thoroughly after handling. Use only in a well ventilated area. Avoid contact with skin and eyes. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid contact with heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. |
| Protection | Eye/Face: Splash-proof chemical safety goggles or face shield (eight-inch minimum), as required. Eye protection in combination with respiratory protection may be needed. Skin: Chemical protective gloves, aprons and other clothing as necessary to protect against repeated or prolonged exposure. |
| Respirators | EMERGENCY OR PLANNED ENTRY INTO UNKNOWN CONCENTRATIONS OR IDLH CONDITIONS: Positive pressure, full-facepiece SCBA; or positive pressure, full-facepiece SAR with an auxiliary positive pressure SCBA. ESCAPE: Gas mask with organic vapour canister; or escape-type SCBA. |
| Small spills/leaks | Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. Avoid runoff into storm sewers and ditches which lead to waterways. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Remove all sources of ignition. Provide ventilation. Clean up residual material by washing area with a 2-5% solution of soda ash. |
| Disposal code | 1 |
| Stability | Stable under normal temperatures and pressures. |
| Incompatibilities | Strong oxidizing agents, strong alkalis, amines. |
| Decomposition | Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. |
| Fire. | ||||
| Flash Point,°C | 84 | |||
| Autoignition, °C | 460 | |||
| Upper exp. limit, % | 3.8 | |||
| Lower exp. limit, % | 0.8 | |||
| Fire fighting | Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Use water spray to keep fire-exposed containers cool. To extinguish fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. | |||
| Fire potential | Combustible liquid and vapor. | |||
| Hazards | Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. | |||
| Combustion products | Fire may produce irritating, corrosive and/or toxic gases. | |||
| NFPA | Health | 2 | ||
| Flammability | 2 | |||
| Reactivity | 0 | |||
| Health. | |
| Exposure limit(s) | TLV: 5 ppm; 28 mg/m3 (ceiling values) (ACGIH 1993-1994). OSHA PEL: TWA 25 ppm (140 mg/m3) NIOSH REL: TWA 4 ppm (23 mg/m3) NIOSH IDLH: 200 ppm |
| Poison_Class | 4 |
| Exposure effects | Possible cancer hazard based on tests with laboratory animals. Prolonged or repeated skin contact may cause dermatitis. Prolonged or repeated exposure may cause adverse reproductive effects. |
| Ingestion | Causes gastrointestinal irritation with nausea, vomiting and diarrhea. |
| Inhalation | Dust is irritating to the respiratory tract. central nervous system (CNS) depression (nausea, headache, dizziness, faintness, a feeling of drunkenness and/or suffocation) may be observed. |
| Skin | Exposure may cause irritation and possible burns. May be harmful if absorbed through the skin. |
| Eyes | Contact with eyes may cause severe irritation, and possible eye burns. |
First aid |
|
| Ingestion | Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. |
| Inhalation | Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. DO NOT use mouth-to-mouth respiration. |
| Skin | Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse. |
| Eyes | Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. |
| Transport. | ||
| USCG CHRIS Code | IPH | |
| USCG Compatatibility Group | 18 Ketones | |
| HS Code | 2914 29 00 | |
| Std. Transport # | 4915747 | |
| IMO Chemical Code | 18 | |
| IMO Pollution Category | D | |