HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 16664Erstellt: 5. November 2026
3-Methyloctan
Octane, 3-methyl- · Nsc23689 · Methyloctane · 3-METHYLOCTANE · 3-Methyloctane>3-METHYLOCTANE 99+% · 3-Methyloctane, ≥ 99.0% · 3-Methyloctane in cyclohexane
https://huagongshe.com/de/chemical/16664
Identifikatoren & physikalische Daten
| CAS No. | 2216-33-3 |
|---|
| Summenformel | C9H20 |
|---|
| Durchschnittliche Molmasse | 128,25 g/mol |
|---|
| Monoisotopische Masse | 128,15650064 g/mol |
|---|
| SMILES | CCCCCC(C)CC |
|---|
| InChIKey | SEEOMASXHIJCDV-UHFFFAOYSA-N |
|---|
| PubChem CID | 16664 |
|---|
| EC No. | 218-686-7 |
|---|
| DTXSID | DTXSID30862875 |
|---|
| Lokaler Name | 3-Methyloctan |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|
| Polarare Oberfläche (TPSA) | 0 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 0 |
|---|
| Frei drehbare Bindungen | 5 |
|---|
| Schwere Atome | 9 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 48 |
|---|
| Lipide | Fatty Acyls [FA] -> Hydrocarbons [FA11] |
|---|
| Solvents | Solvents -> Aliphatics, Saturated (<C12) |
|---|
| Dampfdruck | 6.25 [mmHg] |
|---|
| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS] |
|---|
| Schmelzpunkt | -107.6°C |
|---|
| Siedepunkt | 144 °C |
|---|
| Dichte | 0.72 |
|---|
| Brechungsindex | n20/D 1.407 |
|---|
| Flammpunkt | 32 °C |
|---|
| Löslichkeit | soluble in Ether,Benzene,Acetone0.8mg/L(23 ºC) |
|---|
| Aggregatzustand | clear liquid |
|---|
| Farbe | Colorless |
|---|
| Henry-Konstante | 1.5×10-6 mol/(m3Pa) at 25℃, Yaws (2003) |
|---|
| Dielektrizitätskonstante | 30.0(21℃) |
|---|
| Stabilität | Volatile |
|---|
| LogP (Verteilungskoeffizient) | 5.350 (est) |
|---|
| CAS Datenbank | 2216-33-3(CAS DataBase Reference) |
|---|
| EPA chemische Informationen | Octane, 3-methyl- (2216-33-3) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH224 (13%): Extremely flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Regulatorische Informationen | Octane, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
|---|
| Hazard Classes and Categories | Flam. Liq. 1 (13%) |
|---|
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
|---|
| UN-Transportnummer | 1920 |
|---|
| Zollcode | 2901.10.5000 |
|---|
| R-Sätze (R) | 10 |
|---|
| Gefahrenklasse | 3.1 |
|---|
| Verpackungsgruppe | II |
|---|
