chempirical

Furfurylideneacetone

C8H8O2CAS 623-15-4136.15 g/mol

Open in Covalent MOL file
OO
AlkeneKetone

Properties

Molecular formula
C8H8O2
Molar mass
136.15 g/mol
Exact mass
136.0524 Da
Density
1.0496 g/mL (at 57.2 °C)
Melting point
39.5 °C
Boiling point
113 °C
Flash point
93.3 °C
Water solubility
slightly soluble
logP
1.88Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,422 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
623-15-4
SMILES
CC(=O)C=Cc1ccco1
InChIKey
GBKGJMYPQZODMI-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3

Weigh it out

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Names and synonyms

16 names · show all
  • 3-Buten-2-one, 4-(2-furanyl)-
  • 3-Buten-2-one, 4-(2-furyl)-
  • 4-(2-Furanyl)-3-buten-2-one
  • Monofurfurylideneacetone
  • 4-(2-Furyl)-3-buten-2-one
  • 2-Furfurylideneacetone
  • 4-(2-Furyl)-3-butene-2-one
  • Furfuralacetone
  • 1-(2-Furyl)but-1-en-3-one
  • Furfurylidenacetone
  • 2-(3-Oxo-1-butenyl)furan
  • NSC 2065
  • NSC 6104
  • NSC 643044
  • 2-(3-Oxobut-1-en-1-yl)furan
  • 4-(2-Furyl)buten-2-one

Reactions

Work with Furfurylideneacetone

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

Furylacrylic acid539-47-959 % similar 4-Phenyl-3-buten-2-one122-57-652 % similar trans-4-Phenyl-3-buten-2-one1896-62-452 % similar 2-Furanacrolein623-30-347 % similar 2-Methyl-3-(2-furyl)acrolein874-66-846 % similar 4-(2-Thienyl)-3-buten-2-one874-83-946 % similar Furfural98-01-144 % similar (4-Hydroxybenzylidene)acetone3160-35-843 % similar

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

Same formula

Phenylacetic acid103-82-2 Benzyl formate104-57-4 2'-Hydroxyacetophenone104809-67-8 o-Toluic acid118-90-1 2′-Hydroxyacetophenone118-93-4 3-Hydroxyacetophenone121-71-1 Phenyl acetate122-79-2 4-Anisaldehyde123-11-5

Elsewhere

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