Ethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate

HCID 12450336CAS 3697-68-5

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Grundinformationen

Standard-SMILES: CCOC(=O)C1(CO)CC1
InChIKey: PAILVKQSHRJIPE-UHFFFAOYSA-N
Summenformel: C7H12O3
Durchschnittliche Molmasse: 144,17 g/mol
Monoisotopische Masse: 144,07864424

Namen und Bezeichner

Bevorzugter Name: Ethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
IUPAC: ethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
Englischer Name: 1-HYDROXYMETHYL-CYCLOPROPANECARBOXYLIC ACID ETHYL ESTER
Summenformel: C7H12O3
Molmasse: 144.17

Namen und Synonyme

3697-68-5Ethyl 1-(hydroxymethyl)cyclopropane-1-carboxylateDTXSID50498796RefChem:341999DTXCID90449606844-793-9ethyl 1-(hydroxymethyl)cyclopropanecarboxylate1-Hydroxymethyl-cyclopropanecarboxylic acid ethyl esterMFCD09759206Ethyl 1-hydroxymethylcyclopropanecarboxylateCyclopropanecarboxylic acid, 1-(hydroxymethyl)-, ethyl esterSCHEMBL164041

Weitere Namen anzeigen

Ethyl 1-(hydroxymethyl)1,1 Cyclopropane dicarboxylic acid ethyl esterEthyl1-(hydroxymethyl)cyclopropanecarboxylate,97%1-Hydroxymethyl-cyclopropanecarboxylic ethyl esterEthyl 1-(hydroxyMethyl)cyclopropanecarboxylate, 97%1-(hydroxymethyl)-Cyclopropanecarboxylic acid ethyl ester (7CI 8CI 9CI ACI)

PAILVKQSHRJIPE-UHFFFAOYSA-NEthyl 1-hydroxymethyl-cyclopropaneAKOS006326934CS-W018860DS-15134SY045896DB-069476ethyl1-(hydroxymethyl)cyclopropanecarboxylate

Datenbank-Bezeichner

CAS: 3697-68-5
PubChem CID: 12450336
DTXSID: DTXSID50498796
EC Number: 844-793-9
Nikkaji: J1.138.823J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 10
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Siedepunkt: 90 · 90-94 °C(Press: 8 Torr)
Dichte: 1.159 · 1.159±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 15.1 · 15.10±0.10(Predicted)
InChI: InChI=1S/C7H12O3/c1-2-10-6(9)7(5-8)3-4-7/h8H,2-5H2,1H3
InChIKey: PAILVKQSHRJIPE-UHFFFAOYSA-N
SMILES: C1(CO)(C(OCC)=O)CC1
CAS Datenbank: 3697 · 3697-68-5

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.