2,2-Diethoxytetrahydrofuran

HCID 358290CAS 52263-97-5

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC1(OCC)CCCO1
InChIKey: HRKTYSDVSRVOIP-UHFFFAOYSA-N
Molecular formula: C8H16O3
Average molar mass: 160.21 g/mol
Monoisotopic mass: 160.10994437

Names & identifiers

Preferred name: 2,2-Diethoxytetrahydrofuran
IUPAC: 2,2-diethoxyoxolane
English name: 2,2-diethoxyoxolane
Molecular formula: C8H16O3
Molecular weight: 160.21

Names & synonyms

2,2-Diethoxytetrahydrofuran52263-97-5Furan, 2,2-diethoxytetrahydro-GD3AP58UTVNSC-618232DTXSID60326839Orthobutyric acid, 4-hydroxy-, diethyl ester, gamma-lactoneORTHOBUTYRIC ACID, 4-HYDROXY-, DIETHYL ESTER, .GAMMA.-LACTONERefChem:81000DTXCID00277952633-422-4HRKTYSDVSRVOIP-UHFFFAOYSA-N

Show more names

2,2-diethoxyoxolaneMFCD31978039diethoxytetrahydrofuranNSC618232diethoxy-tetrahydrofuranstarbld0047479UNII-GD3AP58UTVSCHEMBL372830

Database identifiers

CAS: 52263-97-5
PubChem CID: 358290
DTXSID: DTXSID60326839
UNII: GD3AP58UTV
EC Number: 633-422-4
Nikkaji: J470.000G

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 108

Physicochemical properties

FDA UNII: 3 AP58UTV · GD3AP58UTV
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.