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Dicarboxylic acid

CAS 141-82-2C3H4O4MW 104.06

Dicarboxylic acid (CAS 141-82-2) — formula C3H4O4, molecular weight 104.06; category organic chemicals.

Specifications

CAS Number141-82-2
Molecular FormulaC3H4O4
Molecular Weight104.06
Melting Point276.1 °F (NTP, 1992)
Boiling PointDecomposes above 140 °C
LogP-0.8
CategoryOrganic Chemicals

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What this product is

Dicarboxylic acid is a carbon-based organic compound with CAS registry number 141-82-2 and molecular formula C3H4O4 (molecular weight 104.06), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 141-82-2

Its molecular formula C3H4O4 comprises 3 C, 4 H, 4 O atoms.

Also known as: Dicarboxylic acid · malonic acid

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Dicarboxylic acid?

The CAS registry number of Dicarboxylic acid is 141-82-2.

What is the molecular formula and molecular weight of Dicarboxylic acid?

Molecular formula C3H4O4, molecular weight 104.06.

What other names is Dicarboxylic acid known by?

It is also registered under: Dicarboxylic acid, malonic acid.

Which category does Dicarboxylic acid belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for Dicarboxylic acid (CAS 141-82-2), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary1.4% (6 / 443)
Reported hazard statementsH302 (47.2%), H315 (28.2%), H318 (49.7%), H319 (49%), H335 (11.5%)

This chemical does not meet GHS hazard criteria for 1.4% (6 of 443) of reports.

H302 (47.2%): Harmful if swallowed [Warning Acute toxicity, oral]

Regulatory listings

Regulatory & Food ContactEU Flavoring substances
Flavoring Agents
CIR / INCI: Cosmetic ingredients (Malonic Acid) -> CIR (Cosmetic Ingredient Review)
GHS notification summary1.4% (6 / 443)

Physical description and 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

Reported physical properties

沸点Decomposes above 140 °C
熔点276.1 °F (NTP, 1992)
熔点135
熔点135-137 °C
熔点135 °C
溶解度763000
溶解度In water, 6.23X10+5 mg/L at 25 °C
溶解度763.0 mg/mL
密度密度: 1.619 g/cu cm at 10 °C
密度1.6 g/cm³

How this substance is indexed

CAS Registry Number141-82-2
PubChem CID867
分子式C3H4O4
IUPAC 名称propanedioic acid
UNII（FDA）9KX7ZMG0MK

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.

Names this substance appears under

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

Computed molecular descriptors

分子量104.06
XLogP3-0.8
氢键供体数2
氢键受体数4
可旋转键数2
精确质量104.01095860
单同位素质量104.01095860
拓扑极性表面积74.6
重原子数7
形式电荷0

Database abstract

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

Source: PubChem / Wikidata; the batch COA governs where values differ.

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