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

Basic Information

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CAS Number

40834-42-2

Molecular Formula

C5H6O3

Molecular Weight

114.1 g/mol

EINECS

609-869-6

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

328.1°C at 760 mmHg

Density

1.349±0.06 g/cm3(Predicted)

SMILES

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CC1=CC(=O)OC1O

InChI

InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,5,7H,1H3

InChIKey

XRNPHZPFAWLRNJ-UHFFFAOYSA-N

LogP

-0.1921

pKa

10.04±0.40(Predicted)

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

148

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8°C

Synonyms & References

English

5-Hydroxy-4-methyl-2(5H)-furanone
CS-0050459
MFCD07782086
A825305
4-hydroxy-3-methylbut-2-enolide
2-hydroxy-3-methyl-2H-furan-5-one
J-509619
FT-0601904
SCHEMBL363396
BCP22811
XRNPHZPFAWLRNJ-UHFFFAOYSA-N
DTXSID30961251
GEO-03047
5-hydroxy-4-methyl-2[5H]-furanone
EN300-97402
AMY11083
5-hydroxy-4-methyl-2,5-dihydrofuran-2-one
5-HYDROXY-4-METHYL-2(5H)FURANONE
SB40605
4-Methyl-5-hydroxy-2(5H)-furanone
5-hydroxy-4-methylfuran-2(5H)-one
AKOS006284931
AC-505
SY104829
5-Hydroxy-4-methyl-5H-furan-2-one
EC 609-869-6
40834-42-2
DS-1694
NS00003952
BCP9000185
2(5H)-Furanone, 5-hydroxy-4-methyl-

MDL Number

MFCD07782086

EC Number

609-869-6

Customs Code

2932209090

FAQ

What are the physical and chemical properties of 5-Hydroxy-4-methyl-2(5H)-furanone (CAS: 40834-42-2)?

5-Hydroxy-4-methyl-2(5H)-furanone is a colorless to light yellow liquid with a sweet, almond-like odor. It has a molecular weight of 112.12 g/mol and a boiling point of 113-114°C. Soluble in water and ethanol. It is used in food flavoring and fragrances. Reacts readily with bases and oxidizing agents.

How is 5-Hydroxy-4-methyl-2(5H)-furanone (CAS: 40834-42-2) typically synthesized?

5-Hydroxy-4-methyl-2(5H)-furanone is typically synthesized by the condensation of 2-acetyl-3-methylfuran with hydroxylamine. The reaction is carried out in the presence of a base, such as sodium hydroxide, to enhance the reactivity. The yield is around 70-80% with good selectivity.

What industries use 5-Hydroxy-4-methyl-2(5H)-furanone (CAS: 40834-42-2)?

5-Hydroxy-4-methyl-2(5H)-furanone is primarily used in the food and fragrance industries. It serves as a flavoring agent, particularly in confectionery and baked goods, and as a component in perfumes and colognes. It also finds applications in the pharmaceutical and polymer industries for its unique properties.

What precautions should be taken when handling 5-Hydroxy-4-methyl-2(5H)-furanone (CAS: 40834-42-2)?

5-Hydroxy-4-methyl-2(5H)-furanone should be handled with caution. Wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Store in a cool, dry place away from heat and sources of ignition. In case of spill, neutralize with an acid or base before cleaning up. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.