2-Furaldehyd-diethylacetal

Furfural diethyl acetal

HCID 83553CAS 13529-27-6

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Grundinformationen

Standard-SMILES: CCOC(OCC)c1ccco1
InChIKey: SEILDMUKBMYIEZ-UHFFFAOYSA-N
Summenformel: C9H14O3
Durchschnittliche Molmasse: 170,21 g/mol
Monoisotopische Masse: 170,09429431

Überblick

Furfural diethyl acetal is a member of furans.

Namen und Bezeichner

Bevorzugter Name: Furfural diethyl acetal
IUPAC: 2-(diethoxymethyl)furan
Lokaler Name: 2-Furaldehyd-diethylacetal
Englischer Name: 2-Furaldehyde diethyl acetal
Summenformel: C9H14O3
Molmasse: 170.21

Namen und Synonyme

2-(Diethoxymethyl)furan13529-27-6Furfural diethyl acetalFuran, 2-(diethoxymethyl)-2-Furfural diethyl acetal2-Furaldehyde-diethylacetal04B3GME3IJ2-Furancarboxaldehyde diethyl acetalEINECS 236-872-6DTXSID108644182-FURALDEHYDE, DIETHYL ACETALRefChem:607791

Weitere Namen anzeigen

SKL11702-(diethoxymethyl)-fura2-(diethoxymethyl)furane2-FuraldehydeDiethylAcetal>2-FURALDEHYDE DIETHYL ACETAL 98%2-Furaldehyde diethyl acetal,98%

DTXCID908129372-Furaldehyde diethyl acetalMFCD00003245Lapatinib Impurity 182-Furaldehyde diethylacetaldiethoxy-2-furylmethaneUNII-04B3GME3IJdiethoxymethylfuran

Datenbank-Bezeichner

CAS: 13529-27-6
PubChem CID: 83553
DTXSID: DTXSID10864418
ChEBI: CHEBI:34769
UNII: 04B3GME3IJ
EC Number: 236-872-6
Nikkaji: J241.168G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 31,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 12
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Siedepunkt: 189 · 189-191 °C (lit.)
Dichte: 1.008 g/mL · 1.008 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.444(lit.)
Flammpunkt: 148 °F · 148 °F
storage temp.: 0 · 0-6°C
Aggregatzustand: clear liquid
Wichte: 1.008 · 1.008
Farbe: White to Yellow to Green
Geruch (Odor): 100 % · at 100.00 %. fruity earthy mushroom
Geruchsart: fruity
InChI: 1S/C9H14O3/c1-3-10-9(11-4-2)8-6-5-7-12-8/h5-7,9H,3-4H2,1-2H3
InChIKey: SEILDMUKBMYIEZ-UHFFFAOYSA-N
SMILES: CCOC(OCC)c1ccco1
LogP: 2.272 · 2.272 (est)
CAS Datenbank: 13529 · 13529-27-6(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Furaldehyde diethyl acetal(13529-27-6)
EPA chemische Informationen: 2 · Furan, 2-(diethoxymethyl)- (13529-27-6)

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)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Furan, 2-(diethoxymethyl)-

Regulation (EC) No 178/2002 (amended)

REACH registered substance: 2-furaldehyde-diethylacetal (EC: 236-872-6)

Furan, 2-(diethoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29321900
RTECS-Nr.: LU0585000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationFuran, 2-(diethoxymethyl)-: INACTIVE

Anwendungen

Verwenden2-Furaldehyde diethyl acetal was used in the synthesis of:5-pyridyl- and 5-aryl-2-furaldehydes via Palladium-mediated cross-coupling reaction11-oxatricyclo [5.3. 1.02, 6] undecane derivatives