HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Nonan-5-on
Nonanone · 5-Nonone · VALERONE · 5-Nonanon · 5-NONANONE · (n-C4H9)2CO · 5-Oxononane · butylketone
Identifikatoren & physikalische Daten
| CAS No. | 502-56-7 |
|---|---|
| Summenformel | C9H18O |
| Durchschnittliche Molmasse | 142,24 g/mol |
| Monoisotopische Masse | 142,1357652 g/mol |
| SMILES | CCCCC(=O)CCCC |
| InChIKey | WSGCRAOTEDLMFQ-UHFFFAOYSA-N |
| PubChem CID | 10405 |
| EC No. | 207-946-5 |
| DTXSID | DTXSID7022045 |
| Lokaler Name | Nonan-5-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 76,7 |
| Solvents | Solvents -> Ketones (<C12) |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | log Kow = 2.88 |
| Dichte | 0.822 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8217 at 20 °C/4 °C0.826 g/mL at 25 °C (lit.) |
| Color/Form | Colorless to light yellow liquid |
| Löslichkeit | Soluble in ethanolvery soluble in ether and chloroformIn water, 363 mg/L at 30 °CSlightly soluble in water, soluble in alcohol and oils.256mg/L(25 ºC) |
| Flammpunkt | 60 °C (closed cup)141 °F |
| Siedepunkt | 370 °F at 760 mmHg (USCG, 1999)188.4 °C186-187 °C (lit.) |
| Decomposition | When heated to decomp it emits acrid smoke & irritating fumes. |
| Schmelzpunkt | 21 °F (USCG, 1999)-3.8 °C-50 °C (lit.) |
| Dampfdruck | 0.55 [mmHg]0.552 mm Hg at 25 °C |
| Brechungsindex | Index of refraction: 1.4195 at 20 °C/Dn20/D 1.419(lit.) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Geruch | Sweet Oakmoss-like penetrating odor with floral undertones. |
| Spezifische Wärmekapazität | Cp(liquid): 2.13 J/(g·K), at 25℃ |
| BRN | 1743583 |
| Henry-Konstante | 4.0×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 10.6 |
| InChI | 1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3 |
| InChIKey | WSGCRAOTEDLMFQ-UHFFFAOYSA-N |
| SMILES | CCCCC(=O)CCCC |
| CAS Datenbank | 502-56-7(CAS DataBase Reference) |
| NIST chemische Informationen | 5-Nonanone(502-56-7) |
| EPA chemische Informationen | 5-Nonanone (502-56-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.DangerH226 (25%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 5-Nonanone5-Nonanone: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: |
| Gesundheitsgefahren | Inhalation causes irritation of nose and throat. Ingestion causes irritation of mouth and stomach. Contact with eyes or skin causes irritation. (USCG, 1999) |
| Gefahrenübersicht | A skin, eye, nose, and throat irritant[CAMEO] Effects in high-dose animal studies include change in righting reflex and spastic paralysis[RTECS] May cause irritation[MSDSonline]The major hazards encountered in the use and handling of dibutyl ketone stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this colorless to light yellow liquid may occur from its presence as a contaminant in some solvents. Effects from exposure may include ocular pain and corneal damage, shortness of breath, nausea, headache, dizziness, fainting, coma and death. When heated to decomposition, dibutyl ketone emits acrid fumes. Before implementing land disposal of waste dibutyl ketone, consult with environmental regulatory agencies for guidance. |
| Reaktive Gruppe | Ketones |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile |
Anwendungen & Verwendung
Verwenden
5-Nonanone is used in preparation of 6-(1,2,4-oxadiazol-5-yl)chroman-4-one derivatives as S1P1 receptor modulators and methods for preparing them.