丙二酸

Description

Dicarboxylic acid · CAS 141-82-2 · C3H4O4. UNII 9KX7ZMG0MK. Boiling Point: Decomposes above 140 °C; Melting Point: 276.1 °F (NTP, 1992); Melting Point: 135.

Identification

CAS Registry Number	141-82-2
PubChem CID	867
Molecular formula	C3H4O4
IUPAC name	propanedioic acid
UNII (FDA)	9KX7ZMG0MK

Computed Descriptors

Molecular Weight	104.06
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	104.01095860
Monoisotopic Mass	104.01095860
Topological Polar Surface Area	74.6
Heavy Atom Count	7
Formal Charge	0

Physical & Chemical Properties

Boiling Point	Decomposes above 140 °C
Melting Point	276.1 °F (NTP, 1992)
Melting Point	135
Melting Point	135-137 °C
Melting Point	135 °C
Solubility	763000
Solubility	In water, 6.23X10+5 mg/L at 25 °C
Solubility	763.0 mg/mL
Density	Density: 1.619 g/cu cm at 10 °C
Density	1.6 g/cm³

Physical description & handling notes

• Malonic acid appears as white crystals or crystalline powder. Sublimes in vacuum. (NTP, 1992)
• Large Crystals; Liquid; Other Solid
• White solid; [ICSC] White crystals; [Alfa Aesar MSDS]
• Solid
• WHITE CRYSTALS.
• White crystals

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents CIR / INCI: Cosmetic ingredients (Malonic Acid) -> CIR (Cosmetic Ingredient Review)
GHS notification summary	1.4% (6 / 443)

GHS Hazard Classification

GHS notification summary	1.4% (6 / 443)
Reported hazard statements	H302 (47.2%), H315 (28.2%), H318 (49.7%), H319 (49%), H335 (11.5%)

Documented Uses

• Used to make barbiturates; [Merck Index]
• Intermediate for barbiturates and pharmaceuticals.
• Malonic acid is used for the introduction of an acetic acid moiety under mild conditions by Knoevenagel condensation and subsequent decarboxylation. Examples include the preparation of cinnamic acid, used for the production of the anti-inflammatory cinmetacin and 3,4,5-trimethoxycinnamic acid, the key intermediate of the vasodilators cinepazet and cinepazide. The fragrance gamma-nonanoic lactone is available by Knoevenagel condensation of malonic acid with heptaldehyde followed by ring closure.
• ... /The/ diethyl ester is used in syntheses of vitamins B1 and B6, barbiturates, and numerous other valuable compounds. Malonic acid itself is rather unstable and has few applications.
• Malonic acid may be used as a cross-linking agent between corn starch and potato starch to improve its mechanical properties.
• Malonic acid is usually produced by hydrolysis of cyanoacetic acid or by acid saponification of malonates. Alternative more recently reported methods for the preparation of malonic acid are the ozonolysis of cyclopentadiene, the palladium-catalyzed air oxidation of 1,3-propanediol, the platinum group metalcatalyzed oxidation of 3-hydroxypropionaldehyde or 3-hydroxypropionic acid and the use of malononitrile as a substrate for a nitrilase.

Synonyms

malonic acid; propanedioic acid; 141-82-2; Dicarboxymethane; Carboxyacetic acid; Methanedicarboxylic acid; malonate; Kyselina malonova; USAF EK-695; 1,3-Propanedioic acid; DTXSID7021659; 9KX7ZMG0MK; NSC-8124; DTXCID401659; CHEBI:30794; malonyl

Frequently Asked Questions

What are the CAS number and molecular formula of Dicarboxylic acid?

CAS 141-82-2; molecular formula C3H4O4; molecular weight — g/mol.

What other names is Dicarboxylic acid known by?

malonic acid, propanedioic acid, 141-82-2, Dicarboxymethane, Carboxyacetic acid, Methanedicarboxylic acid.

What is the regulatory status of Dicarboxylic acid?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents; CIR / INCI: Cosmetic ingredients (Malonic Acid) -> CIR (Cosmetic Ingredient Review).

Is Dicarboxylic acid classified as hazardous?

1.4% of GHS notifications report no hazard classification (6 of 443).

What are the key physical properties of Dicarboxylic acid?

Boiling Point: Decomposes above 140 °C; Melting Point: 276.1 °F (NTP, 1992); Melting Point: 135; Melting Point: 135-137 °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.