天然呋喃醇

Description

Furaneol · CAS 3658-77-3 · C6H8O3. UNII 20PI8YZP7A. Boiling Point: 216 °C; Melting Point: 77-79 °C; Melting Point: 77 - 78 °C.

Identification

CAS Registry Number	3658-77-3
PubChem CID	19309
Molecular formula	C6H8O3
IUPAC name	4-hydroxy-2,5-dimethylfuran-3-one
UNII (FDA)	20PI8YZP7A
FEMA number	3174
JECFA number	1446

Computed Descriptors

Molecular Weight	128.13
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	128.047344113
Monoisotopic Mass	128.047344113
Topological Polar Surface Area	46.5
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	216 °C
Melting Point	77-79 °C
Melting Point	77 - 78 °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
Dissociation Constants	pKa = 8.56 at 20 °C

Physical description & handling notes

• Liquid
• Solid
• Colourless to white solid; Fruity caramel or burnt pineapple aroma
• Beige powder
• Colorless crystals
• Relatively weak, nonspecific odor; dilute solutions develop a pineapple, strawberry-like odor

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Burnt, Caramel, Cotton Candy, Honey No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	0.1% (1 / 1843)

GHS Hazard Classification

GHS notification summary	0.1% (1 / 1843)
Reported hazard statements	H302 (28.5%), H317 (80.1%), H319 (71.7%)

Documented Uses

• Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8337]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 16 consumer products that contain Dimethylhydroxy Furanone in the following categories is provided:
• From dimethyl-3,4-dihydroxyfuran-2,5-dicarboxylate.
• ... manufactured in a multistep bioprocess from rhamnose.

Synonyms

Furaneol; 3658-77-3; 4-hydroxy-2,5-dimethylfuran-3(2H)-one; 2,5-Dimethyl-4-hydroxy-3(2H)-furanone; 4-Hydroxy-2,5-dimethyl-3(2H)-furanone; 4-Hydroxy-2,5-dimethyl-3(2H)furanone; Alletone; Pineapple ketone; Dimethylhydroxy furanone; Strawberry furanone; 4-hydroxy-2,5-dimethylfuran-3-one; 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-; Coe 536; 2,5-Dimethyl-4-hydroxy-2,3-dihydrofuran-3-one; FEMA No. 3174; 2,5-Dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuran

Frequently Asked Questions

What are the CAS number and molecular formula of Furaneol?

CAS 3658-77-3; molecular formula C6H8O3; molecular weight — g/mol.

What other names is Furaneol known by?

Furaneol, 3658-77-3, 4-hydroxy-2,5-dimethylfuran-3(2H)-one, 2,5-Dimethyl-4-hydroxy-3(2H)-furanone, 4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 4-Hydroxy-2,5-dimethyl-3(2H)furanone.

What is the regulatory status of Furaneol?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Furaneol classified as hazardous?

0.1% of GHS notifications report no hazard classification (1 of 1843).

What are the key physical properties of Furaneol?

Boiling Point: 216 °C; Melting Point: 77-79 °C; Melting Point: 77 - 78 °C; Solubility: In water, 0.315 g/mL at 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.