3-Oxo-cyclopentanecarboxylic acid methyl ester

HCID 237640CAS 32811-75-9

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Grundinformationen

Standard-SMILES: COC(=O)C1CCC(=O)C1
InChIKey: KTGCFXSELRVRFH-UHFFFAOYSA-N
Summenformel: C7H10O3
Durchschnittliche Molmasse: 142,15 g/mol
Monoisotopische Masse: 142,06299418

Namen und Bezeichner

Bevorzugter Name: 3-Oxo-cyclopentanecarboxylic acid methyl ester
IUPAC: methyl 3-oxocyclopentane-1-carboxylate
Englischer Name: methyl 3-oxocyclopentane-1-carboxylate
Summenformel: C7H10O3
Molmasse: 142.15

Namen und Synonyme

3-Oxo-cyclopentanecarboxylic acid methyl esterRefChem:504692640-583-4Methyl 3-oxocyclopentanecarboxylate32811-75-9methyl 3-oxocyclopentane-1-carboxylate3-oxocyclopentanecarboxylic acid methyl esterMFCD09832106Cyclopentanecarboxylic acid, 3-oxo-, methyl esterSCHEMBL1139285Methyl 3-Oxocyclopentane carboxylateAKOS006280547

Weitere Namen anzeigen

Methyl 3-oxo-cyclopentane...Methyl-3-oxo-cyclopentane carboxylate1-Methyl-3-oxocyclopentane-1-carboxylate3-oxo-1-cyclopentanecarboxylic acid methyl ester3-OXO-CYCLOPENTANECARBOXYLIC ACID METHYL ESTER, 95+%Methyl-3-oxo-cyclopentane carboxylate, 95% (Custom work)Cyclopentanecarboxylic acid, 3-oxo-, methyl ester (6CI, 7CI, 8CI, 9CI, ACI)

CS-W019720PB27535PB31918PS-5100PD0473793-oxo-cyclopentane-1-carboxylic acid methyl esterAMY26568NSC41335

Datenbank-Bezeichner

CAS: 32811-75-9
PubChem CID: 237640
DTXSID: DTXSID60285311
EC Number: 640-583-4
Nikkaji: J583.068K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Siedepunkt: 130 · 130-140℃ (10 Torr)
Dichte: 1.157 · 1.157±0.06 g/cm3(Predicted)
Brechungsindex: 1.4565 · 1.4565 (589.3 nm 23℃)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: liquid
Farbe: light yellow
InChI: InChI=1S/C7H10O3/c1-10-7(9)5-2-3-6(8)4-5/h5H,2-4H2,1H3
InChIKey: KTGCFXSELRVRFH-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)CCC(=O)C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.