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2-Ethylbutyraldehyd
2-ETHYLBUTANAL · FEMA 2426 · 3-ethylpentanal · Ethylbutyraldehyde · DIETHYLACETALDEHYDE · Butyraldehyde, 2-ethyl- · (C2H5)2CHCHO · 2-ethyl-butana
Identifikatoren & physikalische Daten
| CAS No. | 97-96-1 |
|---|---|
| Summenformel | C6H12O |
| Durchschnittliche Molmasse | 100,16 g/mol |
| Monoisotopische Masse | 100,088815 g/mol |
| SMILES | CCC(C=O)CC |
| InChIKey | UNNGUFMVYQJGTD-UHFFFAOYSA-N |
| PubChem CID | 7359 |
| ChEMBL | CHEMBL273782 |
| ChEBI | CHEBI:173345 |
| EC No. | 202-623-5 |
| DTXSID | DTXSID3049380 |
| Lokaler Name | 2-Ethylbutyraldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 46,1 |
| Stoffklassen | Flammable agents - 3rd degree |
| SpringerMaterials Properties | Chemical shift |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.808-0.8140.814 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | miscible with alcohol, ethersoluble in water 1 ml in 50 ml(in ethanol)Soluble in ether and alcohols. Slightly soluble in water. |
| Flammpunkt | 70 °F (NFPA, 2010) |
| Siedepunkt | 116.00 to 117.00 °C. @ 760.00 mm Hg117 °C117 °C(lit.) |
| Schmelzpunkt | -89 °C-89°C |
| Brechungsindex | 1.400-1.405n20/D 1.402(lit.) |
| Physical Description | 2-ethylbutyraldehyde appears as a clear colorless liquid. Less dense than water and insoluble in water. Vapors heavier than air.colourless, mobile liquid with a pungent odour |
| FEMA | 2426 | 2-ETHYLBUTYRALDEHYDE |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Geruch | at 10.00 % in dipropylene glycol. sweet green ethereal fruity cocoa |
| Geruchsart | green |
| JECFA Number | 256 |
| BRN | 1209330 |
| Henry-Konstante | 4.0×10-2 mol/(m3Pa) at 25℃, Yaws (2003) |
| Stabilität | Stability Stable, but air sensitive. Flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, strong reducing agents, oxidizing agents. |
| InChI | 1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | UNNGUFMVYQJGTD-UHFFFAOYSA-N |
| SMILES | CCC(CC)C=O |
| LogP (Verteilungskoeffizient) | 1.73 |
| CAS Datenbank | 97-96-1(CAS DataBase Reference) |
| EPA chemische Informationen | Butanal, 2-ethyl- (97-96-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (13.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1495 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Butanal, 2-ethyl-Butanal, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanal, 2-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Butanal, 2-ethyl-: 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 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| Gesundheitsgefahren | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
| DOT-Nummer und Handbuch | 1178 130 |
| Reaktive Gruppe | Aldehydes |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 2-ETHYLBUTYRALDEHYDE is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermicthey are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes 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. |
| DOT Hazard Classification | 2-EthylbutyraldehydeUN1178Class 3 Flammable and combustible liquid (49 eCFR § 173.120)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Highly flammable. With air slowly form peroxides. Insoluble in water. |
| Peroxide Forming Chemical | 2-EthylbutanalD*: Other compounds that may form peroxidesBretherick'shttps://cameochemicals.noaa.gov/chemical/672 |
| Hazard Classes and Categories | Flam. Liq. 2 (13.2%)Flammable agents - 3rd degree, Reactive agents - 1st degree |
| Brandbekämpfung | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / 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 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:General First Aid: |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Freisetung ohne Brand | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:Immediate precautionary measure |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / 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. |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1178 |
| Zollcode | 29121900 |
| RTECS-Nr. | ES2625000 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 16-26-36 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Occurrence
Reported found in melon, French fried potato, wheaten bread, scallops, citrus fruits, white bread and maize.
Verwenden
2-Ethylbutyraldehyde has been used in the preparation of aldoximes using aqueous hydroxylamine.