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HCID 28022Erstellt: 26. Oktober 2026

2,2,4-Trimethylhexane

Hexane, 2,2,4-trimethyl- · Trimethylhexane · 2,2,4-Trimethylhexane · 2,2,4-Trimethylhexane >2,2,4-TRIMETHYLHEXANE 98+% · 2,2,4-Trimethylhexane in cyclohexane

https://huagongshe.com/de/chemical/28022

Molekülstruktur von 2,2,4-Trimethylhexane

Identifikatoren & physikalische Daten

CAS No.16747-26-5
SummenformelC9H20
Durchschnittliche Molmasse128,25 g/mol
Monoisotopische Masse128,15650064 g/mol
SMILESCCC(C)CC(C)(C)C
InChIKeyAFTPEBDOGXRMNQ-UHFFFAOYSA-N
PubChem CID28022
ChEBICHEBI:187668
EC No.240-807-7
DTXSIDDTXSID30868211

Chemische & physikalische Eigenschaften

XLogP4,4
Polarare Oberfläche (TPSA)0
H-Brücken-Donoren0
H-Brücken-Akzeptoren0
Frei drehbare Bindungen3
Schwere Atome9
Formalladung0
Komplexität66
Dampfdruck15.9 [mmHg]
Physical DescriptionClear colorless liquid[Sigma-Aldrich MSDS]
Kovats Retention Index792.8791.6789.61790790.8793800794795777786789.2794.2794.3790.7788.8783785787
Schmelzpunkt-120.15°C
Siedepunkt125-127 °C(lit.)
Dichte0.716 g/mL at 20 °C(lit.)
Brechungsindexn20/D 1.403
Flammpunkt13 °C
Aggregatzustandclear liquid
FarbeColorless to Almost colorless
BRN1718781
Henry-Konstante1.7×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
InChI1S/C9H20/c1-6-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3
InChIKeyAFTPEBDOGXRMNQ-UHFFFAOYSA-N
SMILESCCC(C)CC(C)(C)C
CAS Datenbank16747-26-5(CAS DataBase Reference)
EPA chemische Informationen2,2,4-Trimethylhexane (16747-26-5)

Sicherheit & Vorschriften

GHS-EinstufungDangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
GefahrenübersichtMay cause irritation[Sigma-Aldrich MSDS] See Nonane.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Unerwünschte WirkungenNeurotoxin - Acute solvent syndrome
Wassergefährdungsklasse (WGK)3
UN-TransportnummerUN 3295 3/PG 2
Zollcode2901.10.5000
R-Sätze (R)11
GefahrensymboleF
Sicherheitshinweise (S)16
Gefahrenklasse3.1Flam. Liq. 2
VerpackungsgruppeII
Lagerklasse3 - Flammable liquids