HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(Z)-Hex-2-ensure
(Z)-hex-2-enoic acid · (Z)-3-Hexenoic acid · (Z)-11-Octadecenyl acetate · FEMA 3170 · C3 HEXENOIC ACID · cis-hex-3-enoicaci · TIMTEC-BB SBB006610 · RARECHEM AL BE 0723
Identifikatoren & physikalische Daten
| CAS No. | 1775-43-5 |
|---|---|
| Summenformel | C6H10O2 |
| Durchschnittliche Molmasse | 114,14 g/mol |
| Monoisotopische Masse | 114,06807956 g/mol |
| SMILES | CC/C=C\CC(=O)O |
| InChIKey | XXHDAWYDNSXJQM-ARJAWSKDSA-N |
| PubChem CID | 5355152 |
| ChEBI | CHEBI:49284 |
| DTXSID | DTXSID20883579 |
| Lokaler Name | (Z)-Hex-2-ensure |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 94,7 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103] |
| Duftstoffe | Fragrance Ingredient (3-Hexenoic acid) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.962-0.9680.965 |
| Löslichkeit | Practically insoluble to insoluble in waterSoluble (in ethanol) |
| Siedepunkt | 100.00 °C. @ 4.00 mm Hg209-210º106-110 °C (16 mmHg) |
| Schmelzpunkt | 12 °C |
| Brechungsindex | 1.437-1.4431.439-1.445 |
| Physical Description | LiquidColourless to pale yellow clear liquidSweaty, cheesy, fruity aroma |
| FEMA | 4493 | CIS-3-HEXENOIC ACID |
| Flammpunkt | 108 °C |
| Lagerbedingungen | Store at room temperature |
| pKa (Säurekonstante) | 4.51±0.10(Predicted) |
| Geruch | at 1.00 % in propylene glycol. green grass sweaty fruity cheesy acid |
| Geruchsart | green |
| JECFA Number | 2181 |
| InChI | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3- |
| InChIKey | XXHDAWYDNSXJQM-ARJAWSKDSA-N |
| SMILES | C(O)(=O)C/C=C\CC |
| LogP (Verteilungskoeffizient) | 1.60 |
| EPA chemische Informationen | 3-Hexenoic acid, (3Z)- (1775-43-5) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: 3-Hexenoic acid, (Z)-Chemical: 3-Hexenoic acid3-Hexenoic acid: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 45-36/37/39-25 |
Anwendungen & Verwendung
Verwenden
(3Z)-3-Hexenoic Acid is an unsaturated aliphatic acid used in the chemistry of flavors.