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HCID 136839Erstellt: 26. Oktober 2026

2-Cyclohexen-1-one, 4,4-dimethyl-

4,4-Dimethylcyclohex-2-en-1-one · 2-Cyclohexen-1-one, 4,4-dimethyl- · 4,4-Dimethylcyclohexenone · 4,4-Dimethyl-2-cyclohexenone · 6,6-Dimethylcyclohexen-3-one · 4,4-Dimethylcyclohex-2-enone · 3,3-Dimethylcyclohexene-6-one · 6,6-Dimethylcyclohexene-3-one

https://huagongshe.com/de/chemical/136839

Molekülstruktur von 2-Cyclohexen-1-one, 4,4-dimethyl-

Identifikatoren & physikalische Daten

CAS No.1073-13-8
SummenformelC8H12O
Durchschnittliche Molmasse124,18 g/mol
Monoisotopische Masse124,088815 g/mol
SMILESCC1(C)C=CC(=O)CC1
InChIKeyHAUNPYVLVAIUOO-UHFFFAOYSA-N
PubChem CID136839
EC No.672-151-6
DTXSIDDTXSID70147996

Chemische & physikalische Eigenschaften

XLogP1,8
Polarare Oberfläche (TPSA)17,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen0
Schwere Atome9
Formalladung0
Komplexität154
Siedepunkt72-73.5 °C20 mm Hg(lit.)
Dichte0.944 g/mL at 25 °C(lit.)
Brechungsindexn20/D 1.473(lit.)
Flammpunkt148 °F
LagerbedingungenInert atmosphere,Room Temperature
AggregatzustandLiquid
Wichte0.944
FarbeClear dark brown
InChIInChI=1S/C8H12O/c1-8(2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
InChIKeyHAUNPYVLVAIUOO-UHFFFAOYSA-N
SMILESC1(=O)CCC(C)(C)C=C1
LogP (Verteilungskoeffizient)1.480 (est)
CAS Datenbank1073-13-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH227 (16.7%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesFlam. Liq. 4 (16.7%)
Wassergefährdungsklasse (WGK)3
Zollcode29142990
R-Sätze (R)36-20/21/22
GefahrensymboleXn,Xi
Sicherheitshinweise (S)36/37/39-26
Lagerklasse10 - Combustible liquids