HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
trans-Crotonsure
(E)-But-2-enoic acid · Crotonate · BUTENOIC ACID · BUT-2-ENOIC ACID · TRANS-CROTONIC ACID · (E)-2-BUTENOIC ACID · 2-Butenoic acid, (E)- · FEMA 3908
Identifikatoren & physikalische Daten
| CAS No. | 107-93-7 |
|---|---|
| Summenformel | C4H6O2 |
| Durchschnittliche Molmasse | 86,09 g/mol |
| Monoisotopische Masse | 86,03677943 g/mol |
| SMILES | CC=CC(=O)O |
| InChIKey | LDHQCZJRKDOVOX-UHFFFAOYSA-N |
| PubChem CID | 19499 |
| ChEMBL | CHEMBL3185203 |
| DTXSID | DTXSID7027544 |
| Lokaler Name | trans-Crotonsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 73,6 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103] |
| Kosmetika | Stabilizing |
| SpringerMaterials Properties | Density |
| Löslichkeit | Slightly soluble in waterSoluble (in ethanol)H2O: soluble94 g/L (25 ºC) |
| Physical Description | Dry PowderOff-white powderHarsh, pungent, acrylic odour |
| Schmelzpunkt | 70-72 °C (lit.) |
| Siedepunkt | 180-181 °C (lit.) |
| Dichte | 1.027 g/mL at 25 °C (lit.) |
| Dampfdichte | 2.97 (vs air) |
| Dampfdruck | 0.19 mm Hg ( 20 °C) |
| Brechungsindex | 1.4228 |
| FEMA | 3908 | (E)-2-BUTENOIC ACID |
| Flammpunkt | 190 °F |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 4.69(at 25℃) |
| Aggregatzustand | Crystalline Flakes |
| Farbe | White to light yellow |
| pH | 3 (10g/l, H2O, 20℃) |
| Geruch | at 1.00 %. milky |
| Geruchsart | milky |
| Explosionsgrenze | 15.1%, 171°F |
| Merck | 14,2597 |
| JECFA Number | 1371 |
| BRN | 1719943 |
| Henry-Konstante | 4.1×101 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ |
| InChIKey | LDHQCZJRKDOVOX-NSCUHMNNSA-N |
| SMILES | [H]\C(C)=C(\[H])C(O)=O |
| LogP (Verteilungskoeffizient) | 0.85 at 25℃ |
| CAS Datenbank | 107-93-7(CAS DataBase Reference) |
| NIST chemische Informationen | Crotonic acid(107-93-7) |
| EPA chemische Informationen | 2-Butenoic acid, (2E)- (107-93-7) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: 2-Butenoic acid2-Butenoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butenoic acid 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)Crotonic acid: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3472 8/PG III (CROTONIC ACID, LIQUID) |
| Zollcode | 29161940 |
| RTECS-Nr. | GQ2900000 |
| R-Sätze (R) | 21/22-34-50/53-36/37/38 |
| Toxizität | LD50 orally in rats: 1.0 g/kg (Smyth, Carpenter) |
| Gefahrensymbole | C,N,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-45-61-37/39 |
| Gefahrenklasse | 8Eye Dam. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Selbstentzündungstemperatur | 744 °F |
Anwendungen & Verwendung
Verwenden
trans-Crotonic acid is used in the copolymerization of crotonic acid hydrogel systems by using gamma-rays. The crosslinked copolymeric crotonic acid hydrogels release fertilizers and drugs that help to prevent environmental pollution.
Herstellung & Synthese
synthetische
(E)-2-Butenoic acid may be formed by oxidation of crotonaldehyde, 2-butenal. If (Z)-butenoic acid is heated at 180°C, it is converted to (E)-2-butenoid acid.