HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Hexanon
Hexan-2-one · METHYL BUTYL KETONE · BUTYL METHYL KETONE · METHYL N-BUTYL KETONE · 2-Hexanon · Hexan-2-on · MNBK · 2-HEXANONE
Identifikatoren & physikalische Daten
| CAS No. | 591-78-6 |
|---|---|
| Summenformel | C6H12O |
| Durchschnittliche Molmasse | 100,16 g/mol |
| Monoisotopische Masse | 100,088815 g/mol |
| SMILES | CCCCC(C)=O |
| InChIKey | QQZOPKMRPOGIEB-UHFFFAOYSA-N |
| PubChem CID | 11583 |
| ChEMBL | CHEMBL195861 |
| ChEBI | CHEBI:89206 |
| EC No. | 209-731-1 |
| DTXSID | DTXSID0022068 |
| Lokaler Name | 2-Hexanon |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 57,2 |
| Stoffklassen | Flammable agents - 3rd degreeVolatile Organic Compound (VOC) |
| Lipide | Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12] |
| Solvents | Solvents -> Ketones (<C12) |
| SpringerMaterials Properties | Boiling point |
| Pestizide | Pesticide -> EPA IRIS |
| LogP (Verteilungskoeffizient) | log Kow = 1.38 |
| Geruch | Characteristic acetone like odor, but more pungent |
| Dichte | 0.812 at 68 °F (USCG, 1999) - Less dense than waterwill float0.830 at 20 °C/20 °CRelative density (water = 1): 0.80.83 @ 20°C0.812 g/mL at 25 °C(lit.) |
| Viscosity | 0.62 cP at 20 °C |
| Color/Form | Colorless liquid |
| Löslichkeit | 10 to 50 mg/mL at 72 °F (NTP, 1992)1.4 wt% in water at 20 °CSol in acetonemiscible in ethanol and etherIn water, 1.72X10+4 mg/L at 20 °C17.5 mg/mL at 20 °CSolubility in water, g/100ml at 20 °C: 1.4Soluble in acetone, ethanol, and ether (Weast, 1986)2 g/100 mL (20 ºC) |
| Flammpunkt | 73 °F (NTP, 1992)75 ° F25 °C (closed cup)95 °F (open cup)77 °F (25 °C) (Closed cup)23 °C c.c. |
| Schmelzpunkt | -57 °C |
| Siedepunkt | 127 °C(lit.) |
| Dampfdruck | 10 mm Hg ( 39 °C) |
| Brechungsindex | n20/D 1.401(lit.) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | -8.30 (quoted, Riddick et al., 1986) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Geruch | at 1.00 % in dipropylene glycol. fruity fungal meaty buttery |
| Geruchsart | fruity |
| Geruchsschwelle | 0.024ppm |
| Spezifische Wärmekapazität | Cp(liquid): 2.13 J/(g·K), at 25℃ |
| Merck | 14,6033 |
| BRN | 1737676 |
| Henry-Konstante | 24.4 at 37 °C (static headspace-GC, Bylaite et al., 2004) |
| Dielektrizitätskonstante | 14.6(15℃) |
| Stabilität | Stable. Flammable. Incompatible with oxidizing agents, strong bases, reducing agents. |
| Hauptanwendungen | cleaning productscosmeticsenvironmentalfood and beveragespersonal care |
| InChI | 1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3 |
| InChIKey | QQZOPKMRPOGIEB-UHFFFAOYSA-N |
| SMILES | CCCCC(C)=O |
| LogP (Verteilungskoeffizient) | 1.380 |
| CAS Datenbank | 591-78-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Hexanone(591-78-6) |
| EPA chemische Informationen | 2-Hexanone (591-78-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P303+P361+P353, P304+P340, P318, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: 2-HexanoneHazard Traits - Developmental ToxicityNeurotoxicityReproductive ToxicityS - indicates a substance that is identified in a final Significant New Use Rule.2-Hexanone: HSNO Approval: HSR000981 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-Hexanone: Human health tier II assessment |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | This chemical is flammable. (NTP, 1992)Flammable. Above 23 °C explosive vapour/air mixtures may be formed. |
| Brandpotenzial | Dangerous fire and explosion hazard when exposed to heat or flame ... |
| Gesundheitsgefahren | Inhalation of high concentrations of vapor may result in narcosisperipheral neuropathy may develop. Ingestion of large amounts may cause some systemic injury. Contact with eyes causes mild to moderate irritation. Liquid irritates skinprolonged or repeated contact may cause defatting of the skin with resultant dermatitis. (USCG, 1999) |
| Gefahrenübersicht | 2-Hexanone is also known as methyl n-butyl ketone, MBK, or propyl acetone. It is a clear, colorless liquid with a sharp odor. It dissolves very easily in water, and can evaporate easily into the air as a vapor. It was used in the past in paint and paint thinner, to make other chemical substances, and to dissolve oils and waxes. It is no longer made or used in the United States because it has harmful health effects. It is formed as a waste product resulting from industrial activities such as making wood pulp and producing gas from coal, and in oil shale operations. |
Anwendungen & Verwendung
Beschreibung
2-Hexanone has been used as a solvent for both cellulose- and resin-based coating systems. In the early 1970s, a number of workers in the print department of a coated fabrics plant developed severe peripheral neuropathy from an unknown cause. In search of an etiological agent, and in the absence of other neurotoxicants, 2-hexanone was implicated as it was recently substituted for methyl isobutyl ketone in the manufacturing process. Similar observations in workers exposed to 2-hexanone may have resulted in the decline in production and use in the United States.
Verwenden
2-Hexanone is used in various organic chemical syntheses. It is used in the synthesis of (+/-)-monomorine. It is also used in the preparation of alcohols by transfer hydrogenation of ketones.