Ethyl 3-cyclopropyl-3-oxopropanoate

HCID 262979

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Grundinformationen

CAS: 24922-02-9
Standard-SMILES: CCOC(=O)CC(=O)C1CC1
InChIKey: LFSVADABIDBSBV-UHFFFAOYSA-N
Summenformel: C8H12O3
Durchschnittliche Molmasse: 156,18 g/mol
Monoisotopische Masse: 156,07864424

Namen und Bezeichner

Bevorzugter Name: Ethyl 3-cyclopropyl-3-oxopropanoate
IUPAC: ethyl 3-cyclopropyl-3-oxopropanoate
Englischer Name: 3-Cyclopropyl-3-oxo-propionic acid ethyl ester
Summenformel: C8H12O3
Molmasse: 156.18

Namen und Synonyme

ethyl 3-cyclopropyl-3-oxopropanoate24922-02-9DTXSID60294564RefChem:138690DTXCID10245703607-452-33-Cyclopropyl-3-oxo-propionic acid ethyl esterMFCD00184570Ethyl 3-cyclopropyl-3-oxopropionateethyl-3-cyclopropyl-3-oxopropanoateCYCLOPROPANEPROPANOIC ACID, BETA-OXO-, ETHYL ESTER3-Cyclopropyl-3-oxo-propionic aicd ethyl ester

Weitere Namen anzeigen

Ethyl β-oxo-cyclopropanepropionateCarbethoxymethyl cyclopropyl ketone10Ethyl 3-cyclopropyl-3-oxopropanoateEthyl beta-oxo-Cyclopropane Propionateβ-Oxocyclopropanepropanoic athyl ester3-Cyclopropyl-3-oxo-propionicethyl esterEthyl 3-cyclopropyl-3-oxopropionate, 97%3-Cyclopropyl-3-oxopropionate ethyl esterβ-Oxocyclopropanepropanoic acid ethyl ester

Ethyl 3-cyclopropyl-3-oxo-propanoateNSC 97121249922-02-9NSC97121ethyl 3-cyclopropyl-3-oxo-propionateNCIOpen2_001813ethyl cyclopropylcarbonylacetateSCHEMBL1014646

Datenbank-Bezeichner

CAS: 24922-02-9
PubChem CID: 262979
DTXSID: DTXSID60294564
EC Number: 607-452-3
Nikkaji: J1.054.503J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 11
Formalladung: 0
Komplexität: 170

Physikochemische Eigenschaften

Siedepunkt: 73 ℃/1mm · 73℃/1mm
Dichte: 1.058 g/mL · 1.058 g/mL at 25 °C
Brechungsindex: 20 · n20/D1.449
Flammpunkt: 96 ℃ · >96℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 10.61 · 10.61±0.20(Predicted)
Farbe: Colourless
InChI: InChI=1S/C8H12O3/c1-2-11-8(10)5-7(9)6-3-4-6/h6H,2-5H2,1H3
InChIKey: LFSVADABIDBSBV-UHFFFAOYSA-N
SMILES: C1(CC1)C(=O)CC(=O)OCC
CAS Datenbank: 24922 · 24922-02-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, 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 7 reports by companies from 4 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.