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HCID 69978Erstellt: 26. Oktober 2026

2-Ethylcyclopentan-1,3-dion

2-Ethylcyclopentane-1,3-dione · 1,3-Cyclopentanedione, 2-ethyl- · 2-Ethyl-1 · ETHYLCYCLE-D · 3-cyclopentanedione · DBCO-PEG-Deferoxamine · 1,3-Cyclopentanedione,2-e · 2-ETHYLCYCLOPENTAN-1,3-DIONE

https://huagongshe.com/de/chemical/69978

Molekülstruktur von 2-Ethylcyclopentan-1,3-dion

Identifikatoren & physikalische Daten

CAS No.823-36-9
SummenformelC7H10O2
Durchschnittliche Molmasse126,15 g/mol
Monoisotopische Masse126,06807956 g/mol
SMILESCCC1C(=O)CCC1=O
InChIKeyYDFBIBUYOUFJMR-UHFFFAOYSA-N
PubChem CID69978
EC No.212-512-3
DTXSIDDTXSID60231671
Lokaler Name2-Ethylcyclopentan-1,3-dion

Chemische & physikalische Eigenschaften

XLogP0,6
Polarare Oberfläche (TPSA)34,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome9
Formalladung0
Komplexität133
Schmelzpunkt172-175 °C
Siedepunkt194.28°C (rough estimate)
Dichte1.0579 (rough estimate)
Brechungsindex1.4660 (estimate)
LagerbedingungenStore at room temperature
Löslichkeitsoluble in Methanol
Aggregatzustandpowder to crystal
pKa (Säurekonstante)10.87±0.20(Predicted)
FarbeWhite to Light yellow
pH2.94 at 24.3℃ and 10g/L
BRN1860068
InChIInChI=1S/C7H10O2/c1-2-5-6(8)3-4-7(5)9/h5H,2-4H2,1H3
InChIKeyYDFBIBUYOUFJMR-UHFFFAOYSA-N
SMILESC1(=O)CCC(=O)C1CC
LogP (Verteilungskoeffizient)0.3 at 30℃ and pH7.69
CAS Datenbank823-36-9(CAS DataBase Reference)
NIST chemische Informationen1,3-Cyclopentanedione, 2-ethyl-(823-36-9)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H320 (50%): Causes eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H402 (100%): Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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.
Regulatorische InformationenStatus: Active Update: 13-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16598
Hazard Classes and CategoriesSkin Irrit. 2 (50%)Eye Irrit. 2A (50%)Eye Irrit. 2B (50%)STOT SE 3 (50%)Aquatic Acute 3 (100%)
Zollcode2914290090
Sicherheitshinweise (S)24/25