5-Methylfurfural

C6H6O2CAS 620-02-0110.11 g/mol

Open in Covalent MOL file
OO
Aldehyde

Properties

Molecular formula
C6H6O2
Molar mass
110.11 g/mol
Exact mass
110.0368 Da
Density
1.1012 g/mL (at 20 °C)
Melting point
171 °C
Boiling point
187 °C
logP
1.40Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 430 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
620-02-0
SMILES
Cc1ccc(C=O)o1
InChIKey
OUDFNZMQXZILJD-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

15 names · show all
  • 2-Furancarboxaldehyde, 5-methyl-
  • 2-Furaldehyde, 5-methyl-
  • 5-Methyl-2-furancarboxaldehyde
  • 5-Methylfurfuraldehyde
  • 5-Methyl-2-furfural
  • 2-Methyl-5-formylfuran
  • 5-Methyl-2-furaldehyde
  • 2-Formyl-5-methylfuran
  • 5-Methylfuran-2-carbaldehyde
  • 5-Methyl-2-furfuraldehyde
  • 5-Methylfuran-2-al
  • 5-Methylfuran-2-aldehyde
  • 5-Methyl-2-furfurylaldehyde
  • 2-Methyl-5-furaldehyde
  • 2-Formyl-5-methyltetrahydrofuran

Reactions

Work with 5-Methylfurfural

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

2,5-Furandicarboxaldehyde823-82-564 % similar 5-Bromo-2-furaldehyde1899-24-750 % similar 5-Chloro-2-furaldehyde21508-19-050 % similar 5-Ethyl-2-furaldehyde23074-10-450 % similar 5-Iodo-2-furancarboxaldehyde2689-65-850 % similar 2,5-Dimethylfuran625-86-550 % similar 5-Phenyl-2-furaldehyde13803-39-945 % similar 2-Formylfuran-5-boronic acid27329-70-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propargyl acrylate10477-47-1 Resorcinol108-46-3 2-Acetylfuran1192-62-7 Catechol120-80-9 Hydroquinone123-31-9 2,4-Hexadiyne-1,6-diol3031-68-3 1,4-Cyclohex-2-enedione4505-38-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook