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2-Propenal
ACRYLALDEHYDE · 2-PROPENAL · Biocide · Propenal · BXQ · Acroleine · prop-2-enal · papite
Identifikatoren & physikalische Daten
| CAS No. | 107-02-8 |
|---|---|
| Summenformel | C3H4O |
| Durchschnittliche Molmasse | 56,06 g/mol |
| Monoisotopische Masse | 56,02621475 g/mol |
| SMILES | C=CC=O |
| InChIKey | HGINCPLSRVDWNT-UHFFFAOYSA-N |
| PubChem CID | 7847 |
| ChEMBL | CHEMBL721 |
| ChEBI | CHEBI:15368 |
| EC No. | 203-453-4 |
| DTXSID | DTXSID5020023 |
| Lokaler Name | 2-Propenal |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 30,3 |
| Stoffklassen | Hazardous Air Pollutants (HAPs)Urban Hazardous Air Pollutants (HAPs) - EPA specified greatest potential health threat in urban areasToxic Gases & Vapors -> Other Toxic Gases & VaporsFlammable agents - 3rd degreeVolatile Organic Compound (VOC) |
| pH | pH 6.0 (max), a 10% solution in water at 25 °C |
| SpringerMaterials Properties | Coriolis coupling |
| Pestizide | Pesticide -> EPA IRIS |
| LogP (Verteilungskoeffizient) | log Kow = -0.010.9 |
| Geruch | Extremely sharpextremely acrid, pungent, burnt sweethot fatDisagreeable choking odor |
| Lebensmittelzusatzstoffe | ANTIMICROBIAL AGENT -> FDA Substance added to food |
| Dichte | 0.8389 to 0.8621 at 32 to 68 °F (EPA, 1998)0.8389 at 20 °CBulk density: 7.03 lb/gal at 20 °CRelative density (water = 1): 0.80.840.841 @ 20°C0.839 g/mL at 25 °C(lit.) |
| Viscosity | 0.35 cP at 20 °C |
| Color/Form | Colorless or yellowish liquid |
| Löslichkeit | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)In water, 2.11X10+5 mg/L at 20 °CSoluble in ethanol, ether, acetoneslightly soluble in chloroformSoluble in oxygenated solventsMiscible with lower alcohols, ketones, benzene, diethyl ether and other common organic solvents212 mg/mL at 25 °CH2O: soluble2 to 3 partsSoluble. 21.25 g/100 mL |
| Corrosivity | Non-corrosive to iron & steel at room temperature |
| Schmelzpunkt | −87 °C(lit.) |
| Siedepunkt | 53 °C(lit.) |
| Dampfdichte | 1.94 (vs air) |
| Dampfdruck | 4.05 psi ( 20 °C) |
| Brechungsindex | n20/D 1.403(lit.) |
| Flammpunkt | −2 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Colourless to Pale Yellow |
| Geruch | Pungent, lacrimatory, intensely irritating odor detectable at 0.02 to 0.4 ppm |
| Geruchsschwelle | 0.0036ppm |
| Geruchsart | fruity |
| Explosionsgrenze | 31% |
| Merck | 14,128 |
| BRN | 741856 |
| Henry-Konstante | (x 10-6 atmm3/mol at 25 °C): 135 (Snider and Dawson, 1985) |
| Stabilität | Stable, but very readily polymerizes. May have ca. 0.1% hydroquinone added as stabilizer. Flammable. Incompatible with oxidizing agents, reducing agents, oxygen, a variety of other chemicals, light. Very reactive with a wide variety of chemicals. May polymerize violently, especially on contact with strong acids or bases. |
| InChIKey | HGINCPLSRVDWNT-UHFFFAOYSA-N |
| LogP (Verteilungskoeffizient) | -0.010 |
| CAS Datenbank | 107-02-8(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Propenal(107-02-8) |
| EPA chemische Informationen | Acrolein (107-02-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 1.9% (36 of 1920) of reports.H225 (98.1%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Hazards Identification | Toxic/poison by inhalation (TIH/PIH) |
| Regulatorische Informationen | Chemical: 2-PropenalHazard Traits - CarcinogenicityEnvironmental toxOcular ToxicityRespiratory Toxicity2-Propenal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenal 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)Status: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13444Acrolein: HSNO Approval: HSR002893 Approved with controlsThe 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.) |
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Propenal: Human health tier II assessment |
| DOT-Kennzeichnung | Poison Inhalation Hazard Flammable Liquid |
| Brandgefahren | Under fire conditions, polymerization may occur. If inside a container, violent rupture of the container may take place. When heated to decomposition, it emits highly toxic fumes. Alkalis or strong acids act as catalysts, causing a condensation reaction and liberating energy. Reaction may be very rapid and violent. Readily converted by oxygen to hazardous peroxides and acids. Unstable, avoid exposure to alkalis, strong acids, oxygen, elevated temperatures, such as fire conditions. (Polymerization inside container could cause violent rupture of container under fire conditions.) (EPA, 1998) |
Anwendungen & Verwendung
Beschreibung
The first time that acrolein was produced as a commercial product was in the 1930s through the vapor-phase condensation of acetaldehyde and formaldehyde. Another method was developed in the 1940s, which involved the vapor-phase oxidation of propylene. In the 1960s, some advances were found in propylene oxidation process by the introduction of bismuth molybdate-based catalysis, and that became the primary method used for the commercial production of acrolein. Some bioproducts formed for this reaction are acrylic acid, carbon oxides, acetaldehyde, acetic acid, formaldehyde, and polyacrolein. In World War I, it was used as a chemical weapon (pulmonary irritant and lachrymatory agent). Commercial acrolein contains 95.5% or more of the compound, the main impurities being water (
Verwenden
Acrolein is used in the synthesis of acrylic acid. manufacture of colloidal forms of metals; making plastics, perfumes; warning agent in methyl chloride refrigerant. Has been used in military poison gas mixtures. Used in organic syntheses. Aquatic herbicide.