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HCID 11083Erstellt: 26. Oktober 2026

(±)-2-Allyl-4-hydroxy-3-methylcyclopent-2-en-1-on

NSC42192 · NSC 42192 · NSC-42192 · Allethrelone · (R,S)-Allethrolone · (+/-)-2-CYCLOPENTEN-1-ON · 2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one · ()-2-allyl-4-hydroxy-3-methylcyclopent-2-en-1-one

https://huagongshe.com/de/chemical/11083

Molekülstruktur von (±)-2-Allyl-4-hydroxy-3-methylcyclopent-2-en-1-on

Identifikatoren & physikalische Daten

CAS No.29605-88-7
SummenformelC9H12O2
Durchschnittliche Molmasse152,19 g/mol
Monoisotopische Masse152,08372962 g/mol
SMILESC=CCC1=C(C)C(O)CC1=O
InChIKeyKZYVOZABVXLALY-UHFFFAOYSA-N
PubChem CID11083
EC No.249-724-0
DTXSIDDTXSID80885458
Lokaler Name(±)-2-Allyl-4-hydroxy-3-methylcyclopent-2-en-1-on

Chemische & physikalische Eigenschaften

XLogP0,4
Polarare Oberfläche (TPSA)37,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen2
Schwere Atome11
Formalladung0
Komplexität226
Siedepunkt100-103 °C(Press: 0.15 Torr)
Dichte1.082±0.06 g/cm3(Predicted)
pKa (Säurekonstante)12.94±0.60(Predicted)
LogP (Verteilungskoeffizient)0.420 (est)
EPA chemische Informationen2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)- (29605-88-7)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Hazard Classes and CategoriesAquatic Acute 1 (100%)Acute Tox. 4 (100%)
TSCA-Inventar-StatusTSCA listed