Methyl 5-methyl-2-furancarboxylate

HCID 137628CAS 2527-96-0

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Grundinformationen

Standard-SMILES: COC(=O)c1ccc(C)o1
InChIKey: XBYZJUMTKHUJIY-UHFFFAOYSA-N
Summenformel: C7H8O3
Durchschnittliche Molmasse: 140,14 g/mol
Monoisotopische Masse: 140,04734412

Namen und Bezeichner

Bevorzugter Name: Methyl 5-methyl-2-furancarboxylate
IUPAC: methyl 5-methylfuran-2-carboxylate
Englischer Name: METHYL 5-METHYL-2-FUROATE
Summenformel: C7H8O3
Molmasse: 140.14

Namen und Synonyme

methyl 5-methyl-2-furancarboxylateRefChem:817135methyl 5-methylfuran-2-carboxylate2527-96-0Methyl 5-methyl-2-furoateMFCD041163742-Furancarboxylic acid, 5-methyl-, methyl esterAKOS000295902SB61463Y102505-Methylfuran-2-carboxylic acid methyl esterMethyl5-methylfuran-2-carboxylate

Weitere Namen anzeigen

ASISCHEM D13386RARECHEM AL BF 0010METHYL 5-METHYL-2-FUROmethyl 5-methylfuro-2-ateMethyl 5-Methyl-2-furoate 97%5-Methyl-2-furoic acid methyl ester

Methyl 5-methylfuFT-0628682SCHEMBL423503SCHEMBL1505245DTXSID40179921Methyl 5-methyl-2-furoate, 97%ALBB-026666GEO-01875

Datenbank-Bezeichner

CAS: 2527-96-0
PubChem CID: 137628
DTXSID: DTXSID40179921
EC Number: 672-136-4
Nikkaji: J1.429.892D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 39,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 133

Physikochemische Eigenschaften

Siedepunkt: 85 °C · 85°C 12mm
Dichte: 1.114 · 1.114
Brechungsindex: 1.493 · 1.493
Flammpunkt: 255 °C · 255°C
storage temp.: Sealed in dry,Room Temperature
Wasserlöslichkeit: Insoluble in water.
InChI: 1S/C7H8O3/c1-5-3-4-6(10-5)7(8)9-2/h3-4H,1-2H3
InChIKey: XBYZJUMTKHUJIY-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(C)o1
LogP: 1.131 · 1.131 (est)
CAS Datenbank: 2527 · 2527-96-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 2932190090
risk_code: 36/37/38
safety_code: 26-36-36/37
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenFurans with suitable substituent in the 2- positions may be transformed into other systems with aromatic character with methoxylation of cyclic acetals of 1,4- dicarbonyl compounds, followed by intramolecular condensations in the acid solutions.