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3,4-Epoxybut-1-en
2-VINYLOXIRANE · EPOXYBUTENE · Vinyloxirane · 3,4-EPOXY-1-BUTENE · Butadiene monoepoxide · Vinyl epoxide · 1,2-EPOXY-3-BUTENE · Butadiene monooxide
Identifikatoren & physikalische Daten
| CAS No. | 930-22-3 |
|---|---|
| Summenformel | C4H6O |
| Durchschnittliche Molmasse | 70,09 g/mol |
| Monoisotopische Masse | 70,04186481 g/mol |
| SMILES | C=CC1CO1 |
| InChIKey | GXBYFVGCMPJVJX-UHFFFAOYSA-N |
| PubChem CID | 13586 |
| ChEMBL | CHEMBL1299388 |
| EC No. | 213-210-4 |
| DTXSID | DTXSID4025240 |
| Lokaler Name | 3,4-Epoxybut-1-en |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 49,6 |
| Stoffklassen | Flammable agents - 3rd degree |
| Polymers | Plastics & Rubber -> Other Monomers |
| Dichte | 0.87 (NTP, 1992) - Less dense than waterwill float0.9006 g/cu cm @ 25 °C0.869 @25 °C0.87 g/mL at 25 °C(lit.) |
| Color/Form | Liquid |
| Löslichkeit | 10 to 50 mg/mL at 70 °F (NTP, 1992)Soluble in ethanol, ethyl ether, benzene, and organic solventsMiscible with ethanol, ethyl ether, benzene and organic solvents. |
| Flammpunkt | -50 °F (NTP, 1992)Flash point < -50 °CBELOW -50 °C (BELOW -58 °F) (CLOSED CUP)−58 °F |
| Siedepunkt | 149 to 151 °F at 760 mmHg (NTP, 1992)68 °C67 °C @760 [mm Hg]65-66 °C(lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Schmelzpunkt | -211 °F (NTP, 1992)-135 deg-135 °C |
| Dampfdichte | 2.41 (NTP, 1992) - Heavier than airwill sink (Relative to Air)2.4 (AIR= 1) |
| Dampfdruck | 154.0 [mmHg] |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Brechungsindex | n20/D 1.417(lit.) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid to slightly cloudy liquid |
| Farbe | Colorless to Light orange to Yellow |
| BRN | 103170 |
| InChI | InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2 |
| InChIKey | GXBYFVGCMPJVJX-UHFFFAOYSA-N |
| SMILES | O1CC1C=C |
| CAS Datenbank | 930-22-3(CAS DataBase Reference) |
| EPA chemische Informationen | 1,2-Epoxy-3-butene (930-22-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | This chemical is flammable. (NTP, 1992) |
| Brandpotenzial | A very dangerous fire hazard when exposed to heat or flamecan react with oxidizing materials. |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: This compound emits acrid fumes when heated to decomposition. (NTP, 1992) |
| Gefahrenübersicht | Intraperitoneal LD50 (rat) = 168 mg/kg[HSDB] An irritant[MSDSonline] |
| Reaktive Gruppe | Hydrocarbons, Aliphatic Unsaturated |
| TSCA-Anforderungen | Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Oxiran, ethenyl- is included on this list. |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 1,2-EPOXY-3-BUTENE may be sensitive to heat. This compound can react with oxidizing materials. (NTP, 1992). Epoxides are highly reactive. They polymerize in the presence of catalysts or when heated. These polymerization reactions can be violent. Compounds in this group react with acids, bases, and oxidizing and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts. |
| Air and Water Reactions | Highly flammable. Water soluble. |
| NFPA Hazard Classification | 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.2 - Materials that readily undergo violent chemical changes at elevated temperatures and pressures.W - No water: Materials that react violently or explosively with water. |
| Brandbekämpfung | Fires involving this material can 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. |
| Brandbekämpfungsverfahren | To fight fire, use CO2, dry chemical, water spray. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Protective Action Criteria (PAC) | 1.0 [mg/m3]11 [mg/m3]67 [mg/m3] |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992) |
| Wechselwirkungen | CHLORINATED ETHYLENES ARE METABOLIZED TO REACTIVE EPOXIDIC INTERMEDIATES. EPOXIDES ARE DETOXIFIED IN VIVO BY REACTION WITH GLUTATHIONE (GSH) OR BY ENZYMATIC HYDRATION WHICH CAN BE INHIBITED BY COMPETITIVE EPOXIDIC SUBSTRATES. CONTRIBUTION OF THESE 2 PATHWAYS TO DETOXIFICATION OF METABOLITES OF 1,1-DICHLOROETHYLENE (1,1-DCE) WAS STUDIED IN VIVO IN FASTED MALE RATS. PRETREATMENT WITH BUTADIENE MONOXIDE CAUSED VIRTUALLY TOTAL DEPLETION OF HEPATIC-GSH FOR OVER 2 HR, THEREFORE, DECREASING THE 2 HR LC50 OF 1,1-DCE. AS MEASURED BY GAS UPTAKE PROCEDURES, IT INHIBITED THE RATE OF 1,1-DCE METABOLISM. |
| Non-Human Toxicity Excerpts | INCUBATION OF SALMONELLA TYPHIMURIUM STRAINS TA1530, TA1535 & TA100 IN PRESENCE OF GASEOUS BUTADIENE MONOXIDE CAUSED REVERSION TO HISTIDINE PROTOTROPHY WITHOUT METABOLIC ACTIVATION.ALKYLATION UNDER IN VITRO CONDITIONS MAY BE USEFUL TO EVALUATE MUTAGENICITY OF CHEM. ALKYLATION OF 4-(P-NITROBENZYL)PYRIDINE & DEOXYGUANOSINE WITH EPOXY COMPD WITHOUT METABOLIC ACTIVATION WAS EXAM & COMPARED WITH MUTAGENIC ACTIVITY IN ESCHERICHIA COLI WP2 UVRA. BUTADIENE MONOOXIDE WAS MUCH LESS REACTIVE & MUTAGENIC THAN THE HALOGEN-SUBSTITUTED COMPD, EPICHLOROHYDRIN, EPIBROMOHYDRIN & EPIFLUOROHYDRIN. |
| Antidote and Emergency Treatment | Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aliphatic hydrocarbons and related compounds/Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or in respiratory rest. Positive pressure ventilation techniques with a bag-valve-mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aliphatic hydrocarbons and related compounds/ |
| Non-Human Toxicity Values | LD50 Rat ip 168 mg/kg |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29109000 |
| RTECS-Nr. | EM7350000 |
| R-Sätze (R) | 11-22-36 |
| Gefahrensymbole | F,Xn |
| Sicherheitshinweise (S) | 16-26-36/37 |
| Gefahrenklasse | 3Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 930-22-3(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Butadiene monoxide is used as key starting material for the synthesis of (-)-bulgecinine and (+)-broussonetine G.