2(3H)-Furanone

HCID 140765

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Basic information

CAS: 20825-71-2
Standard SMILES: O=C1CC=CO1
InChIKey: RHDGNLCLDBVESU-UHFFFAOYSA-N
Molecular formula: C4H4O2
Average molar mass: 84.07 g/mol
Monoisotopic mass: 84.02112937

Overview

But-3-en-4-olide is a butenolide. It is a tautomer of a but-2-en-4-olide.

Names & identifiers

Preferred name: 2(3H)-Furanone
IUPAC: 3H-furan-2-one
English name: 3-Butenoic acid, 4-hydroxy-, gamma-lactone
Molecular formula: C4H4O2
Molecular weight: 84.07

Names & synonyms

2(3H)-Furanonefuran-2(3H)-onefuranone20825-71-23H-furan-2-onealpha-Crotonolactonealpha-Furanone.alpha.-Crotonolactone2-Oxo-2,3-dihydrofuranbut-3-en-4-olide.alpha.-Furanonebeta,gamma-Crotonolactone

Show more names

3-Butenoic acid, 4-hydroxy-, gamma-lactone

MFCD00012329F666POB3G4.delta.,.beta.,.gamma.-Butenolide4-hydroxy-3-butenoic acid gamma-lactone3-Butenoic acid, 4-hydroxy-, .gamma.-lactone2,3-DIHYDROFURAN-2-ONE2-(3H)-furanoneJ82.327I

Database identifiers

CAS: 20825-71-2
PubChem CID: 140765
DTXSID: DTXSID50174942
ChEBI: CHEBI:38120
UNII: F666POB3G4
EC Number: 872-140-8
Nikkaji: J82.327I

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 93.7

Physicochemical properties

Melting point: 48 · 48-49 °C
Boiling point: 86 · 86-88 °C(Press: 0.3 Torr)
Density: 1.208 · 1.208±0.06 g/cm3(Predicted)
FDA UNII: 666 POB3G4 · F666POB3G4
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H302-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H302-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501