chempirical

2-Furanone

C4H4O2CAS 497-23-484.07 g/mol

Open in Covalent MOL file
OO
AlkeneEsterLactone

Properties

Molecular formula
C4H4O2
Molar mass
84.07 g/mol
Exact mass
84.0211 Da
Density
1.193 g/mL (at 20 °C)
Melting point
4.5 °C
Boiling point
86.5 °C
Flash point
101 °C (closed cup)
logP
0.10Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,476 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
497-23-4
SMILES
O=C1C=CCO1
InChIKey
VIHAEDVKXSOUAT-UHFFFAOYSA-N
InChI
InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2

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Names and synonyms

20 names · show all
  • 2(5H)-Furanone
  • Crotonic acid, 4-hydroxy-, γ-lactone
  • γ-Hydroxycrotonic acid lactone
  • Isocrotonolactone
  • 4-Hydroxy-2-butenoic acid γ-lactone
  • γ-Crotonolactone
  • 2-Butenoic acid, 4-hydroxy-, γ-lactone
  • Δα,β-butenolide
  • 4-Hydroxy-2-butenoic acid lactone
  • 2-Buten-4-olide
  • 2-Oxo-2,5-dihydrofuran
  • α,β-Crotonolactone
  • γ-Crotolactone
  • 5H-Furan-2-one
  • Cratone
  • 2,5-Dihydrofuranone
  • 5-Oxo-2,5-dihydrofuran-3-yl ester
  • NSC 197009
  • NSC 51296
  • 2H-Furan-5-one

Reactions

Work with 2-Furanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diallyl maleate999-21-354 % similar Cinnamyl cinnamate122-69-048 % similar 2-Propen-1-yl 2-butenoate20474-93-546 % similar Diethyl maleate141-05-946 % similar Diethyl fumarate623-91-646 % similar Ethyl trans-2-hexenoate27829-72-745 % similar Ethyl (E)-4-bromo-2-butenoate37746-78-445 % similar 1,4-Dipropyl (2Z)-2-butenedioate2432-63-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,2-Cyclobutanedione33689-28-0 Tetrolic acid590-93-2 Diketene674-82-8 Methyl propiolate922-67-8

Elsewhere

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