CAS No.3658-77-3,4-Hydroxy-2,5-dimethyl-3(2H)furanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3658-77-3
Name:	4-Hydroxy-2,5-dimethyl-3(2H)furanone
Article Data:	10

Formula:	C₆H₈O₃
Molecular Weight:	128.128
Synonyms:	2,5-Dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuran;2,5-Dimethyl-4,5-dihydrofuran-3-ol-4-one;2,5-Dimethyl-4-hydroxy-2,3-dihydrofuran-3-one;2,5-Dimethyl-4-hydroxy-3(2H)-furanone;4-Hydroxy-2,5-Dimethyl-3-oxo-2,3-dihydrofuran;4-Hydroxy-2,5-dimethyl-2,3-dihydrofuran-3-one;4-Hydroxy-2,5-dimethyl-2H-furan-3-one;Alletone;Furaneol;Pineapple ketone;3(2H)-Furanone,4-hydroxy-2,5-dimethyl-;
EINECS:	222-908-8
Density:	1.249 g/cm³
Melting Point:	73-77 °C(lit.)
Boiling Point:	215.5 °C at 760 mmHg
Flash Point:	90.5 °C
Solubility:	176g/L at 20℃
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	36-24/25
PSA:	46.53000
LogP:	0.76370

Synthetic route

: sodium 2,5-dimethyl-2,5-dihydrofuran-2,3,4-triolate

: 3658-77-3
furaneol

Conditions

Conditions	Yield
With sulfuric acid at 10 - 20℃; for 1h; Reagent/catalyst;	96.3%

: 121063-57-8
glucofuraneol tetraacetate

A: 3658-77-3
furaneol

B: 121063-56-7
2,5-dimethyl-4-hydroxy-3<2H>-furanone β-D-glucopyranoside

Conditions

Conditions	Yield
With sodium methylate In methanol for 4h; Ambient temperature;	A 8% B 92%

: 25566-16-9
hexane-3,4-cis-diol-2,5-dione

: 3658-77-3
furaneol

Conditions

Conditions	Yield
With sodium phosphate dibasic dodecahydrate; phosphoric acid In acetic acid butyl ester; water at 70 - 80℃; for 0.833333h; Reagent/catalyst; Flow reactor;	86%
With disodium hydrogenphosphate; sodium hydrogencarbonate In water; ethyl acetate at 75℃; for 36h; pH=7; pH-value; Solvent; Temperature; Inert atmosphere;	6.8 g

: 488-79-9
6-deoxy-D-glucose

: 3658-77-3
furaneol

Conditions

Conditions	Yield
With piperidine; acetic acid In ethanol at 80℃; for 24h;	85%
Multi-step reaction with 3 steps 1: 90 percent / NaBH4 / H2O / 0.5 h / Ambient temperature 2: 95 percent / sorbitol dehydrogenase (SDH), NAD, α-ketoglutarate monosodium salt, (NH4)2SO4, GluDH / H2O / 10 h / pH 8.2 3: piperidine, glacial acetic acid / ethanol / 20 h / 80 °C View Scheme

: 3,4-hexanedione-2,5-diyl bis(tert-butyl carbonate)

: 3658-77-3
furaneol

Conditions

Conditions	Yield
With oxalic acid for 5h; Heating;	85%

: 74-83-9
methyl bromide

: 68786-17-4
ethyl 3,4-dihydroxy-5-methyl-2-furancarboxylate

: 3658-77-3
furaneol

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide In water	81.4%

: 68786-17-4
ethyl 3,4-dihydroxy-5-methyl-2-furancarboxylate

: methyl 5-methyl-3,4-dihydroxy-2-furoate

: 3658-77-3
furaneol

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide In water; dimethyl sulfate	76.6%

: 111480-79-6
2,5-bisacetoxyhexane-3,4-dione

: 3658-77-3
furaneol

Conditions

Conditions	Yield
With oxalic acid In water for 3.2h; Heating;	66%

: 80037-18-9
2,2'-Dimethoxy-3,3'-dimethyl-[2,2']bioxiranyl

: 3658-77-3
furaneol

Conditions

Conditions	Yield
With sulfuric acid In methanol for 2h; Heating;	59%

: 3615-41-6
L-Rhamnose

: 3658-77-3
furaneol

Conditions

Conditions	Yield
With sodium dihydrogenphosphate; L-Lysine hydrochloride; sodium hydroxide In water at 110℃; for 0.75h; pH=6.5; Temperature; Concentration;	56.7%

Raw Materials

147-85-3

116-09-6

56-40-6

Downstream Products

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Chemistry

Molecular Structure of 4-Hydroxy-2,5-dimethyl-3(2H)furanone (CAS NO.3658-77-3):

IUPAC Name: 4-Hydroxy-2,5-dimethylfuran-3-one
Canonical SMILES: CC1C(=O)C(=C(O1)C)O
InChI: InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
InChIKey: INAXVXBDKKUCGI-UHFFFAOYSA-N
Molecular Weight: 128.12592 [g/mol]
Molecular Formula: C₆H₈O₃
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 3
EINECS: 222-908-8
storage temp.: 2-8 °C
Index of Refraction: 1.512
Molar Refractivity: 30.78 cm³
Molar Volume: 102.5 cm³
Surface Tension: 42.2 dyne/cm
Density: 1.249 g/cm³
Flash Point: 90.5 °C
Enthalpy of Vaporization: 52.55 kJ/mol
Boiling Point: 215.5 °C at 760 mmHg
Vapour Pressure: 0.032 mmHg at 25 °C
Appearance: white to light yellow crystal powder
Melting Point: 73-77 °C(lit.)
Classification Code: Mutation data
Product Categories: Furan&Benzofuran; API intermediates; Alphabetical Listings; C-D; Flavors and Fragrances; Furan flavors

Uses

4-Hydroxy-2,5-dimethyl-3(2H)furanone (CAS NO.3658-77-3) is used as flavorant in the lields of food,beverage and daily-use chemical industry.

Toxicity Data With Reference

1.	mmo-sat 2 mg/plate	CHYCDW Zhonghua Yufangyixue Zazhi. Chinese Journal of Preventive Medicine. 22 (1988),85.
2.	sce-mus-ipr 186 mg/kg	CHYCDW Zhonghua Yufangyixue Zazhi. Chinese Journal of Preventive Medicine. 22 (1988),85.
3.	orl-mus LD50:1608 mg/kg	CHYCDW Zhonghua Yufangyixue Zazhi. Chinese Journal of Preventive Medicine. 22 (1988),85.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of 4-Hydroxy-2,5-dimethyl-3(2H)furanone (CAS NO.3658-77-3):
Hazard Codes:Xn
Risk Statements:22
22:Harmful if swallowed
Safety Statements:36-24/25
36:Wear suitable protective clothing
24/25:Avoid contact with skin and eyes
WGK Germany:3
RTECS:LU3990000
F:10-23
Moderately toxic by ingestion. Mutation data reported. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.

Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Specification

4-Hydroxy-2,5-dimethyl-3(2H)furanone (CAS NO.3658-77-3), its Synonyms are 2,5-Dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuran ; 2,5-Dimethyl-4-hydroxy-2,3-dihydrofuran-3-one ; 2,5-Dimethyl-4-hydroxy-3(2H)-furanone ; 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl- ; Alletone ; FEMA No. 3174 ; Furaneol ; Pineapple ketone ; 3(2H)-Furanone, 2,5-dimethyl-4-hydroxy- ; 4-Hydroxy-2,5-dimethylfuran-2(3H)-one .