HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Methylhex-5-en-2-on
5-Hexen-2-one, 5-methyl- · 5-methylhex-5-en-2-one · FEMA 3365 · 5-methyl-5-hexen-2-on · 5-Methyl-5-hexen-2-one · 2-METHYL-1-HEXENE-5-ONE
Identifikatoren & physikalische Daten
| CAS No. | 3240-09-3 |
|---|---|
| Summenformel | C7H12O |
| Durchschnittliche Molmasse | 112,17 g/mol |
| Monoisotopische Masse | 112,088815 g/mol |
| SMILES | C=C(C)CCC(C)=O |
| InChIKey | VBCIOOKAKHGVMI-UHFFFAOYSA-N |
| PubChem CID | 228604 |
| ChEBI | CHEBI:195656 |
| EC No. | 221-807-6 |
| DTXSID | DTXSID5062928 |
| Lokaler Name | 5-Methylhex-5-en-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 103 |
| SpringerMaterials Properties | Optical coefficient |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.862-0.8680.865 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watersoluble in fatsMiscible at room temperature (in ethanol) |
| Siedepunkt | 148-149 °C148-149 °C (lit.) |
| Brechungsindex | 1.428-1.433n20/D 1.431(lit.) |
| Physical Description | Colourless to pale yellow liquidstrong fatty, green citrus-like odour |
| FEMA | 3365 | 5-METHYL-5-HEXEN-2-ONE |
| Flammpunkt | 108 °F |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Aggregatzustand | liquid |
| Geruch | at 10.00 % in dipropylene glycol. green weedy foliage vegetable |
| Geruchsart | fatty |
| JECFA Number | 1119 |
| InChI | 1S/C7H12O/c1-6(2)4-5-7(3)8/h1,4-5H2,2-3H3 |
| InChIKey | VBCIOOKAKHGVMI-UHFFFAOYSA-N |
| SMILES | CC(=C)CCC(C)=O |
| LogP (Verteilungskoeffizient) | 1.57 |
| EPA chemische Informationen | 5-Hexen-2-one, 5-methyl- (3240-09-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P354+P338, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 5-Hexen-2-one, 5-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)5-Hexen-2-one, 5-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1224 3/PG 3 |
| R-Sätze (R) | 10-22-41 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39 |
| Gefahrenklasse | 3.2Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Beschreibung
Synthesized from methallyl alcohol, the corresponding methallyl alcohol, acetoacetone is prepared, dissolved in diphenyl ether, and finally heated to 200 - 215°C.
Herstellung & Synthese
synthetische
From methallyl alcohol, the corresponding methallyl alcohol, acetoacetone is prepared, dissolved in diphenyl ether, and finally heated to between 200 and 215°C