Ethylcyclopropancarboxylat

Ethyl cyclopropanecarboxylate

HCID 78351

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Grundinformationen

CAS: 4606-07-9
Standard-SMILES: CCOC(=O)C1CC1
InChIKey: LDDOSDVZPSGLFZ-UHFFFAOYSA-N
Summenformel: C6H10O2
Durchschnittliche Molmasse: 114,14 g/mol
Monoisotopische Masse: 114,06807956

Namen und Bezeichner

Bevorzugter Name: Ethyl cyclopropanecarboxylate
IUPAC: ethyl cyclopropanecarboxylate
Lokaler Name: Ethylcyclopropancarboxylat
Englischer Name: Ethyl cyclopropanecarboxylate
Summenformel: C6H10O2
Molmasse: 114.14

Namen und Synonyme

Ethyl cyclopropanecarboxylate4606-07-9Ethyl cyclopropylcarboxylateCyclopropanecarboxylic acid, ethyl esterNSC 60696LDDOSDVZPSGLFZ-UHFFFAOYSA-DTXSID90196704EINECS 225-010-4Cyclopropanecarboxylic acid,ethyl esterRefChem:138907DTXCID90119195225-010-4

Weitere Namen anzeigen

RARECHEM AL BI 0553Monostearin Impurity 7Halofuginone Impurity 1CYCLOPROPYL ETHYL FORMATEETHYLCYCLOPROPANCARBOXYL.S(Ethoxycarbonyl)cyclopropane

InChI=1/C6H10O2/c1-2-8-6(7)5-3-4-5/h5H,2-4H2,1H3LDDOSDVZPSGLFZ-UHFFFAOYSA-NCyclopropanecarboxylic acid ethyl esterMFCD00001282EthylcyclopropanecarboxylateEthyl cyclopropane carboxylateNSC-60696NSC60696

Datenbank-Bezeichner

CAS: 4606-07-9
PubChem CID: 78351
DTXSID: DTXSID90196704
UNII: HQ5TVT5MWG
EC Number: 225-010-4
Nikkaji: J149.988B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 94

Physikochemische Eigenschaften

Siedepunkt: 129 · 129-133 °C (lit.)
Dichte: 0.96 g/mL · 0.96 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.420(lit.)
Flammpunkt: 65 °F · 65 °F
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: Clear pale yellow
PH: 7 · 7 (H2O)
Wasserlöslichkeit: immiscible
BRN: 2039752 · 2039752
InChI: InChI=1S/C6H10O2/c1-2-8-6(7)5-3-4-5/h5H,2-4H2,1H3
InChIKey: LDDOSDVZPSGLFZ-UHFFFAOYSA-N
SMILES: C1(C(OCC)=O)CC1
CAS Datenbank: 4606 · 4606-07-9(CAS DataBase Reference)
NIST chemische Informationen: Ethyl cyclopropanecarboxylate(4606-07-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.