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3-(2-Furyl)acrolein
FEMA 2494 · (E)-3-(furan-2-yl)acrylaldehyde · AT-51102 · FURYL ACROLEIN · 2-FURYL ACROLEIN · FURAN-2-ACROLEIN · AKOS BBS-00003241 · 3-(2-FURYL)ACROLEIN
Identifikatoren & physikalische Daten
| CAS No. | 39511-08-5 |
|---|---|
| Summenformel | C7H6O2 |
| Durchschnittliche Molmasse | 122,12 g/mol |
| Monoisotopische Masse | 122,03677943 g/mol |
| SMILES | O=CC=Cc1ccco1 |
| InChIKey | VZIRCHXYMBFNFD-UHFFFAOYSA-N |
| PubChem CID | 12174 |
| EC No. | 210-785-3 |
| DTXSID | DTXSID2025349 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 118 |
| Löslichkeit | Insoluble (<1 mg/ml at 68.0 °F) (NTP, 1992)Insoluble in waterSoluble (in ethanol)Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Siedepunkt | 275 °F at 14 mmHg (NTP, 1992)143 °C37 mm Hg(lit.) |
| Schmelzpunkt | 129 °F (NTP, 1992)49-55 °C(lit.) |
| Physical Description | Beta-(2-furyl)acrolein is a light brown powder. Cinnamon odor. (NTP, 1992)White or yellow needlesCooked spicy-herb aroma |
| Dichte | 1.1483 (rough estimate) |
| Brechungsindex | 1.5286 (estimate) |
| Flammpunkt | 211 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Solid |
| Farbe | Pale Brown to Light Brown |
| Stabilität | Light Sensitive |
| InChI | 1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1+ |
| InChIKey | VZIRCHXYMBFNFD-HNQUOIGGSA-N |
| SMILES | O=C\C=C\c1ccco1 |
| LogP (Verteilungskoeffizient) | 1.744 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.2% (88 of 1419) of reports.DangerH302 (93.7%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (93.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1419 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 88 of 1419 reports by companies.There are 5 notifications provided by 1331 of 1419 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propenal, 3-(2-furanyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Propenal, 3-(2-furanyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Corrosive |
| Brandgefahren | Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the eyes, skin and mucous membranes.ACUTE/CHRONIC HAZARDS: This compound is an irritant. (NTP, 1992) |
| Reaktive Gruppe | AldehydesHydrocarbons, Aliphatic UnsaturatedConjugated Dienes |
| Reactivity Profile | BETA-(2-FURYL)ACROLEIN is an aldehyde. May become involved in exothermic self-condensation or polymerization reactions that are often catalyzed by acid. May generate flammable and/or toxic gases with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (93.7%)Skin Corr. 1B (93.8%)Skin Corr. 1B (100%)Eye Dam. 1 (100%) |
| Brandbekämpfung | Fires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992) |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992) |
| Isolation and Evacuation | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024) |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1759 8/PG 2 |
| RTECS-Nr. | LT8528500 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
(E)-3-(Furan-2-yl)acrylaldehyde is a useful reagent in the synthesis of highly substituted tetrahydrofurans and tetrahydropyrans using double Michael addition strategy. A synthesis intermediate.