Ethylmalonic acid

Basic Information

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CAS Number

601-75-2

Molecular Formula

C5H8O4

Molecular Weight

132.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

112.0 to 117.0 deg-C

Boiling Point

322.2°C at 760 mmHg

Density

1.5633 (rough estimate)

Water Solubility

Soluble in water, methanol (very faint turbidity), and ethanol.

Flash Point

162.9 °C

Refractive Index

1.4016 (estimate)

SMILES

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CCC(C(=O)O)C(=O)O

InChI

InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)

InChIKey

UKFXDFUAPNAMPJ-UHFFFAOYSA-N

LogP

0.18180000000000007

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

115

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

MFCD00002668
2-ethylpropanedioic acid
J-521354
CS-0022369
NS00015082
LMFA01170105
432NF49DFG
AC1600
NSC96615
bmse000578
UNII-432NF49DFG
2-Ethylmalonic acid #
ethyl-Malonic acid
CHEBI:741548
Propanedioic acid, ethyl-
EINECS 210-007-2
2-ethyl-malonic acid
Ethylmalonic acid, 97%
ETHYLMALONIC ACID
FT-0626351
601-75-2
HY-34740
AKOS005720903
Q27225785
.alpha.-Carboxybutyric acid
NSC-96615
1,1-Propanedicarboxylic acid
a-Carboxybutyrate
ethylmalonate
DS-5107
DTXSID00208842

MDL Number

MFCD00002668

Customs Code

2917190090

FAQ

What are the physical and chemical properties of Ethylmalonic acid (CAS: 601-75-2)?

Ethylmalonic acid (CAS: 601-75-2) is a colorless, crystalline solid with a molecular weight of 124.10 g/mol. It has a pKa of 2.7 and is highly soluble in water. The compound is moderately reactive, particularly with bases and reducing agents. It is a key intermediate in organic synthesis and is used in the preparation of other chemicals.

How is Ethylmalonic acid (CAS: 601-75-2) typically synthesized?

Ethylmalonic acid is commonly synthesized through the hydration of ethylacetoacetate. This process involves the use of a catalyst such as sulfuric acid or phosphoric acid. The synthesis typically yields a mixture of isomers, but purification methods can be employed to achieve higher selectivity and yield. The reaction is exothermic and requires careful temperature control.

What industries use Ethylmalonic acid (CAS: 601-75-2)?

Ethylmalonic acid (CAS: 601-75-2) is widely used in the pharmaceutical industry for the synthesis of drugs, as a reagent in organic synthesis, and in the production of various polymers. It is also utilized in the development of sensors and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling Ethylmalonic acid (CAS: 601-75-2)?

When handling Ethylmalonic acid (CAS: 601-75-2), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.