3658-77-3
Product Name:
Furaneol
Formula:
C6H8O3
Synonyms:
2,5-Dimethyl-4-hydroxy-3(2H)-furanone;Furaneol;Strawberry furanone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; Pellets or Large Crystals |
|---|---|
| Color/Form | Beige powder |
| Odor | Relatively weak, nonspecific odor; dilute solutions develop a pineapple, strawberry-like odor |
| Taste | Caramel flavor |
| Boiling Point | 216 °C |
| Melting Point | 77-79 °C |
| Solubility | In water, 0.315 g/mL at 25 °C |
| Vapor Density | 3.3 (Air = 1) |
| Vapor Pressure | 0.008 mm Hg at 25 °C |
| LogP | log Kow = 0.95 at 20 °C |
| Henry's Law Constant | Henry's Law constant = 1.5X10-5 atm-cu m/mole at 25 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors. |
| Dissociation Constants | pKa = 8.56 at 20 °C |
| Kovats Retention Index | 1068 1078 1075 1023 1024 1031 1025 1025 1025 1025 1025 1023 1034 1024 1028 1032 1049 1029 1033 1029 1029 1046 1030 1030 1023 1028 1032 1030 |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 1.4X10-10 cu cm/molec-sec at 25 °C (estimated) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H314:Skin corrosion/irritation H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.13 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 128.047344113 g/mol |
| Monoisotopic Mass | 128.047344113 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 181 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-hydroxy-2,5-dimethylfuran-3-one is a member of the class of furans that is 2,5-dimethylfuran carrying additional oxo and hydroxy groups at positions 3 and 4 respectively. It has been found particularly in strawberries and other such fruits. It has a role as a flavouring agent, a fragrance and a plant metabolite. It is a member of furans, an enol and a cyclic ketone. It is a conjugate acid of a 4-hydroxy-2,5-dimethylfuran-3-olate.