7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, methyl ester

HCID 12770164CAS 41088-52-2

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Grundinformationen

Standard-SMILES: COC(=O)C1CCC2OC2C1
InChIKey: QCGKUFZYSPBMAY-UHFFFAOYSA-N
Summenformel: C8H12O3
Durchschnittliche Molmasse: 156,18 g/mol
Monoisotopische Masse: 156,07864424

Namen und Bezeichner

Bevorzugter Name: 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, methyl ester
IUPAC: methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
Englischer Name: 3,4-Epoxycyclohexane carboxylic acid, methyl ester
Summenformel: C8H12O3
Molmasse: 156.18

Namen und Synonyme

Methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, methyl esterDTXSID00884680methyl 3,4-epoxycyclohexanecarboxylate7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, methyl estermethyl 7-oxabicyclo(4.1.0)heptane-3-carboxylateRefChem:546988DTXCID101024109885-010-041088-52-2methyl 3,4-epoxycyclohexane carboxylateMFCD13185927

Weitere Namen anzeigen

Methyl 7-oxabicyclo[4.1.0]heptane-4-carboxylateMethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate 98%3,4-Epoxycyclohexanecarboxylic acid Methyl ester (S-30)3,4-EPOXYCYCLOHEXANE CARBOXYLIC ACID, METHYL ESTER 41088-52-23,4-Epoxycyclohexane carboxylic acid, methyl ester ISO 9001：2015 REACH

3,4-epoxycyclohexanecarboxylate methyl ester3,4-Epoxycyclohexane carboxylic acid, methyl ester7-OXABICYCLO[4.1.0]HEPTANE-3-CARBOXYLIC ACID METHYL ESTERSCHEMBL668029AKOS015901832DS-4341SY116328methyl-3',4'-epoxycyclohexane carboxylate

Datenbank-Bezeichner

CAS: 41088-52-2
PubChem CID: 12770164
DTXSID: DTXSID00884680
EC Number: 885-010-0
Nikkaji: J695.211I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 38,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 178

Physikochemische Eigenschaften

Siedepunkt: 115 · 115-117 °C(Press: 22 Torr)
Dichte: 1.1309 g/cm3 · 1.1309 g/cm3
storage temp.: 2 · 2-8°C
Löslichkeit: Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Colourless
EPA chemische Informationen: 7 · 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, methyl ester (41088-52-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, 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.