β-Tetronic Acid

Basic Information

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CAS Number

541-57-1

Molecular Formula

C4H4O3

Molecular Weight

100.07 g/mol

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

Melting Point

135-137 ºC

Boiling Point

316.03°C

Refractive Index

1.4688 (estimate)

SMILES

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C1C(=CC(=O)O1)O

InChI

InChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2

InChIKey

JZQBAGOECGRTSA-UHFFFAOYSA-N

LogP

-0.014899999999999969

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

125

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2,5-Dihydro-4-hydroxyfuran-2-one
SCHEMBL13431740
STR01860
2(5H)-Furanone, 4-hydroxy-
AKOS002344162
4-Hydroxyfuran-2(5H)-one
MFCD00052187
4-hydroxy-5H-furan-2-one
A7875
4-Hydroxy-2,5-dihydrofuran-2-one
EINECS 208-785-3
JZQBAGOECGRTSA-UHFFFAOYSA-
InChI=1/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2
?-Tetronic Acid
W-200418
DTXSID60202442
SY008930
FT-0622941
4-Hydroxy-2(5H)-furanone
541-57-1
F21287
3-hydroxy-2H-furan-5-one
SB61051
CS-W013716
NS00042750
SCHEMBL120201
AKOS015899968
Tetronic acid
4-Hydroxy-3H-furan-2-one

MDL Number

MFCD00052187

Customs Code

2932209090

FAQ

What are the physical and chemical properties of β-Tetronic Acid (CAS: 541-57-1)?

β-Tetronic Acid (CAS: 541-57-1) is a white crystalline powder with a molecular weight of 112.08 g/mol. It has a low solubility in water but is soluble in ethanol and acetone. Chemically, it is moderately reactive and can undergo esterification and condensation reactions.

How is β-Tetronic Acid (CAS: 541-57-1) typically synthesized?

β-Tetronic Acid is typically synthesized from the malonic ester method or by hydrogenation of diacetyl. Common synthesis involves the reaction of acetic anhydride with ethylene glycol under mild conditions, followed by hydrolysis to yield the desired product.

What industries use β-Tetronic Acid (CAS: 541-57-1)?

β-Tetronic Acid (CAS: 541-57-1) finds applications in the pharmaceutical industry for its use as a stabilizer and in the polymer industry for enhancing mechanical properties. It is also used in sensors and semiconductors due to its structural properties.

What precautions should be taken when handling β-Tetronic Acid (CAS: 541-57-1)?

When handling β-Tetronic Acid (CAS: 541-57-1), wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store in a cool, dry place, away from direct sunlight. Use a fume hood when mixing or reacting. In case of exposure, seek medical attention and refer to the safety data sheet (SDS) for detailed guidance.