Methyl 1-hydroxy-1-cyclopropane carboxylate

HCID 2733178

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 33689-29-1
Standard-SMILES: COC(=O)C1(O)CC1
InChIKey: KPJWVJURYXOHOO-UHFFFAOYSA-N
Summenformel: C5H8O3
Durchschnittliche Molmasse: 116,11 g/mol
Monoisotopische Masse: 116,04734412

Namen und Bezeichner

Bevorzugter Name: Methyl 1-hydroxy-1-cyclopropane carboxylate
IUPAC: methyl 1-hydroxycyclopropane-1-carboxylate
Englischer Name: Methyl 1-hydroxy-1-cyclopropane carboxylate, 90
Summenformel: C5H8O3
Molmasse: 116.12

Namen und Synonyme

METHYL 1-HYDROXY-1-CYCLOPROPANE CARBOXYLATERefChem:812722827-536-533689-29-1methyl 1-hydroxycyclopropanecarboxylatemethyl 1-hydroxycyclopropane-1-carboxylateMETHYL 1-HYDROXY-1-CYCLOPROPANECARBOXYLATEMFCD020938841-Hydroxycyclopropanecarboxylic Acid Methyl EsterMETHYL 1-HYDROXY-1-CYCLOPROPANE CARBOXYLATE, 90Methyl 1-Hydroxycyclopropane-1-carboxylate; Methyl 1-Hydroxycyclopropanecarboxylate;1-Hydroxy-c

Weitere Namen anzeigen

METHYL 1-HYDROXY-1-CYCLOPROPANEMethyl 1-hydroxy-cyclopropan-carboxylateMETHYL 1-HYDROXY-1-CYCLOPROPANE CARBOXYLMethyl 1-hydroxy-1-cyclopropane carboxylate, 90% 5GR1-hydroxy-Cyclopropanecarboxylic acid methyl ester (8CI 9CI ACI)

1-Hydroxy-cyclopropanecarboxylic acid methyl esterSCHEMBL390361Cyclopropanecarboxylic acid, 1-hydroxy-, methyl esterSCHEMBL1817253SCHEMBL7677113DTXSID00369780KPJWVJURYXOHOO-UHFFFAOYSA-Nmethyl1-hydroxycyclopropanecarboxylate

Datenbank-Bezeichner

CAS: 33689-29-1
PubChem CID: 2733178
DTXSID: DTXSID00369780
EC Number: 827-536-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 115

Physikochemische Eigenschaften

Siedepunkt: 70 °C/13mmHg · 70°C/13mmHg
Dichte: 1.346 · 1.346±0.06 g/cm3(Predicted)
Flammpunkt: 17 ℃ · 17℃
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: Dichloromethane, Methanol
pka: 13.14 · 13.14±0.20(Predicted)
Aggregatzustand: Liquid
Farbe: Clear yellow
InChI: InChI=1S/C5H8O3/c1-8-4(6)5(7)2-3-5/h7H,2-3H2,1H3
InChIKey: KPJWVJURYXOHOO-UHFFFAOYSA-N
SMILES: C1(O)(C(OC)=O)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.