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Butyraldehydoxim
exkin1 · Exkin 1 · skino#1 · usafam-6 · USAF am-6 · Skino No. 1 · utraldoxime · Butylaldoxime
Identifikatoren & physikalische Daten
| CAS No. | 110-69-0 |
|---|---|
| Summenformel | C4H9NO |
| Durchschnittliche Molmasse | 87,12 g/mol |
| Monoisotopische Masse | 87,06841391 g/mol |
| SMILES | CCCC=NO |
| InChIKey | KGGVGTQEGGOZRN-UHFFFAOYSA-N |
| PubChem CID | 8069 |
| ChEMBL | CHEMBL1729186 |
| ChEBI | CHEBI:59012 |
| EC No. | 203-792-8 |
| DTXSID | DTXSID2024664 |
| Lokaler Name | Butyraldehydoxim |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 42,8 |
| Stoffklassen | Nitrogen Compounds -> OximesFlammable agents - 2nd degree |
| Dichte | 0.923 (NTP, 1992) - Less dense than waterwill float |
| Löslichkeit | less than 1 mg/mL at 68 °F (NTP, 1992)Chloroform, Methanol (Slightly)<0.1 g/100 mL at 20 ºC |
| Flammpunkt | 136 °F (NTP, 1992)58 °C |
| Siedepunkt | 306 °F at 760 mmHg (NTP, 1992)152-154 °C |
| Schmelzpunkt | -21.1 °F (NTP, 1992)-29.5°C |
| Dampfdichte | 3.01 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| Physical Description | Butyraldoxime appears as a liquid. Flash point 140 °F. Slightly less dense than water. Vapors heavier than air. Used to make plastics and rubber.Clear colorless liquid[NTP] |
| Brechungsindex | 1.4367 |
| Lagerbedingungen | Refrigerator, under inert atmosphere |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 11.03±0.11(Predicted) |
| Farbe | Colourless |
| BRN | 1698799 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, powdered metals, acids. |
| CAS Datenbank | 110-69-0(CAS DataBase Reference) |
| NIST chemische Informationen | Butanal, oxime(110-69-0) |
| EPA chemische Informationen | Butanal oxime (110-69-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: Butanal, oximeButyraldehyde oxime: Does not have an individual approval but may be used under an appropriate group standardThe 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 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| Gesundheitsgefahren | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
| Gefahrenübersicht | Methemoglobinemia (with associated anemia), hepatocellular necrosis (in animals that died during study), nasal olfactory epithelial degeneration observed in 14-week oral study of mice and rats[NTP] An eye irritantHarmful by ingestionToxic by skin absorption[Alfa Aesar MSDS] |
| DOT-Nummer und Handbuch | 2840 129 |
| Reaktive Gruppe | Oximes |
| Reactivity Alerts | Explosive |
| Reactivity Profile | BUTYRALDOXIME is highly explosive during vacuum distillation. This chemical is incompatible with oxidizing materials. It is also incompatible with metallic impurities. It may react with strong acids. (NTP, 1992) |
| DOT Hazard Classification | ButyraldoximeUN2840Class 3 Flammable and combustible liquid (49 eCFR § 173.120)PG III: the degree of danger presented by the material is minor |
| Air and Water Reactions | Flammable. Slightly soluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Eye irritation - category 2Flammable agents - 2nd degreeAcute Tox. 3 * |
| Brandbekämpfung | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| 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.General First Aid: |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Freisetung ohne Brand | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:Immediate precautionary measure |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Emergency Response Planning Guidelines | CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2840 |
| Zollcode | 2928.00.5000 |
| RTECS-Nr. | ES3500000 |
| R-Sätze (R) | 36-24-22 |
| Toxizität | mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD277-689, |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 45-36-23 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
Herstellung & Synthese
synthetische
To a slowly stirred mixture of 73 gm (1 mole) of butylamine and 109 gm of a 12.2% aqueous solution of sodium tungstate is added (1.75 hr) with cooling to maintain a temperature of 15°C, 220 gm of 28% hydrogen peroxide. During this reaction 130 ml of ethanol is added portionwise to clarify the emulsion which tends to form. The green solution is stirred at 15°C for an additional hour after the addition has been completed. The reaction mixture is cooled, neutralized, and freed of the ethanol under reduced pressure. The solution is then saturated with sodium chloride and the oily product is separated and distilled to afford 50 gm (58%), b.p. 152°C. Evidently hydroxylamines may also be oxidized with hydrogen peroxide in the presence of sodium tungstate, as mentioned above. In a recent report, phenylglyoxime was prepared by a ferric chloride oxidation of the correspondingly hydroxylamine oxime.