Ethyl 4-cyclopropyl-2,4-dioxobutanoate

HCID 16779961

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Grundinformationen

CAS: 21080-80-8
Standard-SMILES: CCOC(=O)C(=O)CC(=O)C1CC1
InChIKey: MHKXVJFDESXWFH-UHFFFAOYSA-N
Summenformel: C9H12O4
Durchschnittliche Molmasse: 184,19 g/mol
Monoisotopische Masse: 184,07355886

Namen und Bezeichner

Bevorzugter Name: Ethyl 4-cyclopropyl-2,4-dioxobutanoate
IUPAC: ethyl 4-cyclopropyl-2,4-dioxobutanoate
Englischer Name: ethyl 4-cyclopropyl-2,4-dioxobutanoate
Summenformel: C9H12O4
Molmasse: 184.19

Namen und Synonyme

ethyl 4-cyclopropyl-2,4-dioxobutanoate21080-80-8DTXSID90588367RefChem:343944DTXCID30539131887-664-2MFCD09052462cyclopropanebutanoic acid, alpha,gamma-dioxo-, ethyl esters118774-CYCLOPROPYL-2,4-DIOXO-BUTYRIC ACID ETHYL ESTERBS-13825Ethyl 4-cyclopropyl-2,4-dioxo-butanoate

Weitere Namen anzeigen

ERR_INTERNET_DISCONNECTEDthyl 4-cyclopropyl-2,4-dioxobutanoateCyclopropanebutanoicacid,α,γ-dioxo-,ethylestera,g-Dioxo-cyclopropanebutanoic acid ethyl ester4-cyclopropyl-2,4-dioxobutanoic acid ethyl ester4-cyclopropyl-2,4-diketo-butyric acid ethyl esterCyclopropanebutanoic acid, α,γ-dioxo-, ethyl ester

SY117217EN300-41906SCHEMBL1694342ALBB-028473AKOS000136056ethyl4-cyclopropyl-2,4-dioxobutanoateAB49606DA-43286

Datenbank-Bezeichner

CAS: 21080-80-8
PubChem CID: 16779961
DTXSID: DTXSID90588367
EC Number: 887-664-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 60,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 13
Formalladung: 0
Komplexität: 240

Physikochemische Eigenschaften

Siedepunkt: 149 °C · 149 °C(Press: 23 Torr)
Dichte: 1.218 · 1.218±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 6.79 · 6.79±0.20(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.