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4-Hydroxy-5-methyl-3-furanone

CAT: 0013-GTR19164926-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19164926-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Hydroxy-5-methyl-3-furanone, a naturally occurring furanone isolated from Eurycotis floridana, is used as a reference standard and flavor compound in research. It is applied in analytical chemistry and studies of flavor biosynthesis, serving as a key molecule for in vitro enzymatic and metabolic pathway investigations.
CAS Number
19322-27-1
Product Name Alternative
4-Hydroxy-5-methyl-3-furanone, 4-Hydroxy-5-methylfuran-3 (2H) -one
Purity
99.87% (May vary between batches)
Solubility
DMSO:55 mg/mL (482.03 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:2.5 mg/mL (21.91 mM)
Smiles
CC1=C (O) C (=O) CO1
Molecular Formula
C5H6O3
Molecular Weight
114.1
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

4-Hydroxy-5-methyl-3(2H)-furanone

4-hydroxy-5-methyl-3-furanone is a member of the class of furans that is 5-methyl-2,3-dihydrofuran with a hydroxy group at position 4 and a keto group at position 3. It has a role as a metabolite. It is a member of furans, an enol and a cyclic ketone. It is functionally related to a 5-methyl-2,3-dihydrofuran.

CAS Number19322-27-1
PubChem CID4564493
IUPAC Name4-hydroxy-5-methylfuran-3-one
Molecular FormulaC5H6O3
Molecular Weight114.10
XLogP0.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity157
SMILES
CC1=C(C(=O)CO1)O
InChI
InChI=1S/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3
InChIKey
DLVYTANECMRFGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-5-methyl-3(2H)-furanone
CAS: 19322-27-1
CID: 4564493
Formula: C5H6O3
MW: 114.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.10
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass114.031694049
Monoisotopic Mass114.031694049
Topological Polar Surface Area46.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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