Identifikatoren & physikalische Daten
| CAS No. | 504-20-1 |
|---|
| Summenformel | C9H14O |
|---|
| Durchschnittliche Molmasse | 138,21 g/mol |
|---|
| Monoisotopische Masse | 138,10446507 g/mol |
|---|
| SMILES | CC(C)=CC(=O)C=C(C)C |
|---|
| InChIKey | MTZWHHIREPJPTG-UHFFFAOYSA-N |
|---|
| PubChem CID | 10438 |
|---|
| ChEMBL | CHEMBL2766015 |
|---|
| ChEBI | CHEBI:35572 |
|---|
| EC No. | 207-986-3 |
|---|
| DTXSID | DTXSID1021584 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|
| Polarare Oberfläche (TPSA) | 17,1 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 10 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 157 |
|---|
| Dichte | Relative density (water = 1): 0.90.9 g/cm3 |
|---|
| Löslichkeit | Solubility in water: poor |
|---|
| Flammpunkt | 185 °F (NFPA, 2010)85 °C o.c. |
|---|
| Siedepunkt | 198 °C |
|---|
| Schmelzpunkt | 28 °C |
|---|
| Dampfdichte | Relative vapor density (air = 1): 4.8 |
|---|
| Dampfdruck | 0.38 [mmHg]Vapor pressure, Pa at 20 °C: 51 |
|---|
| Physical Description | Phorone appears as a yellowish liquid with a solvent-like odor. Combustible but difficult to ignite. Used as a solvent for lacquers and coatings.Yellow liquid or yellowish-green solidmp = 28 deg C[Merck Index] Clear dark yellow liquidmp = 23-26 deg C[Sigma-Aldrich MSDS]YELLOW-TO-GREEN LIQUID OR CRYSTALS. |
|---|
| Kovats Retention Index | 109215641492.9 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | Not ClassifiedReported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website. |
|---|
| Regulatorische Informationen | Chemical: 2,5-Heptadien-4-one, 2,6-dimethyl-2,5-Heptadien-4-one, 2,6-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
|---|
| DOT-Kennzeichnung | Combustible Liquid |
|---|
| Brandgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. 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 the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2024)Combustible. Above 85 °C explosive vapour/air mixtures may be formed. |
|---|
| Gesundheitsgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024) |
|---|
| Gefahrenübersicht | Causes diffuse hepatitis, other liver changes, and effects on proteins, transaminases, and mitochondrial function in acute intraperitoneal studies of rats[RTECS] No listed effects of short-term or long-term exposureContact with skin or eyes may cause redness and painInhalation may cause cough, shortness of breath, and sore throat |
|---|