2-Methylsuccinic acid

Basic Information

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CAS Number

498-21-5

Molecular Formula

C5H8O4

Molecular Weight

132.12 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

110.0 to 118.0 deg-C

Boiling Point

164.01°C (rough estimate)

Water Solubility

Soluble in water.

Flash Point

111

Refractive Index

1.4240 (estimate)

SMILES

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CC(CC(=O)O)C(=O)O

InChI

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

InChIKey

WXUAQHNMJWJLTG-UHFFFAOYSA-N

LogP

0.18180000000000013

pKa

4.13(at 25℃)

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

129

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Stability

Stable. Combustible. Incompatible with bases, oxidizing agents, reducing agents.

Synonyms & References

English

FT-0690327
DL-.ALPHA.-METHYLSUCCINIC ACID
2-Methylsuccinic acid
MFCD00002659
(+/-)-2-METHYLSUCCINIC ACID
InChI=1/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9
LMFA01170119
498-21-5
FT-0605228
2-methylbutane-1,4-dioic acid
CS-W011097
DTXSID9025663
AB89120
(R)-(+)-MethylsuccinicAcid
Butanedioic acid, methyl-
CCRIS 6068
Methyl succinic acid
2-Methylbutanedioic acid
UNII-H1547KG7UZ
s6356
J6.105K
H1547KG7UZ
Succinic acid, methyl-
R,S-2-METHYLBUTANEDIOIC ACID
1,2-Propanedicarboxylic acid
BDBM85472
SB44814
FT-0602059
Q27163205
NSC-5276
SY036933

MDL Number

MFCD00002659

Customs Code

2917190090

FAQ

What are the physical and chemical properties of 2-Methylsuccinic acid (CAS: 498-21-5)?

2-Methylsuccinic acid is a colorless crystalline solid with a molecular weight of approximately 136.13 g/mol. It has a pKa of around 4.9 and is moderately soluble in water. This compound is reactive and can undergo esterification and condensation reactions. It is also readily soluble in common organic solvents like ethanol and acetone.

How is 2-Methylsuccinic acid (CAS: 498-21-5) typically synthesized?

2-Methylsuccinic acid can be synthesized through the hydration of 2-methylmaleic anhydride or by the condensation of succinic anhydride with 2-hydroxypropane-1,3-diol. Common catalysts include sulfuric acid and phosphoric acid. The yield is typically around 85-95%, and the reaction is performed under mild conditions to ensure high selectivity.

What industries use 2-Methylsuccinic acid (CAS: 498-21-5)?

2-Methylsuccinic acid finds applications in the pharmaceutical industry for the synthesis of various drugs, in the polymer industry for improving the properties of plastics, and in the sensor industry for the development of gas sensors. It is also used in the semiconductor industry as a precursor for the manufacture of organic semiconductors.

What precautions should be taken when handling 2-Methylsuccinic acid (CAS: 498-21-5)?

When handling 2-Methylsuccinic acid, appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be worn. It should be stored in a cool, dry place away from heat sources and incompatible substances. In case of a spill, it should be handled in a fume hood, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.