Common NameFurfural
Description2-Furancarboxaldehyde, also known as 2-furaldehyde or a-furole, belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. 2-Furancarboxaldehyde is found in allspice and it is also a flavour ingredient. 2-Furancarboxaldehyde is present in coffee, calamus, matsutake mushroom (Tricholoma matsutake), pumpkin, malt, peated malt, Bourbon vanilla, Lamb's lettuce, pimento leaf and various fruits, e.g. apple, apricot, sweet cherry, morello cherry, orange, grapefruit, Chinese quince and a common constituent of essential oils. Furfural is an organic compound derived from a variety of agricultural byproducts, including corncobs, oat, wheat bran, and sawdust.
Structure
Molecular FormulaC5H4O2
Average Mass96.08410
Monoisotopic Mass96.02113
IUPAC Namefuran-2-carbaldehyde
Traditional NameBran oil
CAS Registry Number98-01-1
SMILESO=Cc1ccco1
InChI IdentifierInChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
InChI KeyHYBBIBNJHNGZAN-UHFFFAOYSA-N
CHEBI IDCHEBI:34768
HMDB IDHMDB0032914
StateLiquid
Water Solubility1.54e+01 g/l
logP0.43
logS-0.79
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)-4.11
Hydrogen Acceptor Count1
Hydrogen Donor Count0
Polar Surface Area30.21 Ų
Rotatable Bond Count1
Physiological Charge0
Formal Charge0
Refractivity25.03 m³·mol⁻¹
Polarizability8.87

We require the use of cookies for essential features like storing your previously submitted BASys2 queries. Rejecting the usage of cookies will result in certain features being disabled. By clicking ACCEPT or continuing to use the website you are agreeing to our use of cookies.

ACCEPT