Dimethylmalonic acid

Basic Information

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CAS Number

595-46-0

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

191-193 °C

Boiling Point

292.77°C (rough estimate)

Flash Point

155.6℃

Refractive Index

1.4016 (estimate)

SMILES

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

InChI

InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)

InChIKey

OREAFAJWWJHCOT-UHFFFAOYSA-N

LogP

0.18179999999999985

pKa

3.15(at 25℃)

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

131

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

595-46-0
A832359
CHEMBL3360549
AKOS005255257
DimethylmalonsA currencyure
Propanedioic acid, dimethyl-
NSC 836
NSC-836
dimethyl-malonic acid
Hydrogen 2,2-dimethylmalonate
DTXSID5060489
AS-12448
EN300-37489
2,2-Dimethylmalonic acid
D2606
DIMETHYLMALONIC ACID
HY-W007894
Dimethylmalonic acid, 98%
NSC836
2,2-dimethylpropanedioic acid
Malonic acid, dimethyl-
55981WKX6B
LMFA01170103
CS-W007894
Dimethylmalonic acid, Standard for quantitative NMR, TraceCERT(R)
FT-0632477
NS00034185
dimethylpropanedioic acid
SCHEMBL52160
BDBM50038339
SY016494

MDL Number

MFCD00004193

FAQ

What is Dimethylmalonic acid (CAS: 595-46-0)?

Dimethylmalonic acid (CAS: 595-46-0) is a dicarboxylic acid with the chemical formula C5H10O4. It is a white crystalline solid with a sour odor, commonly used in organic synthesis. Its structure features two methyl groups attached to a malonic acid backbone, making it a key intermediate in various chemical reactions. This compound is known for its stability and reactivity in aqueous solutions.

What are the main uses of Dimethylmalonic acid (CAS: 595-46-0)?

Dimethylmalonic acid (CAS: 595-46-0) is widely used in pharmaceuticals as a building block for drug synthesis. It also serves in industrial applications, such as polymer production and as a reagent in chemical manufacturing. In research, it is employed for studying metabolic pathways and organic chemistry reactions. Additionally, it may have niche uses in food additives and specialty chemical formulations.

Is Dimethylmalonic acid (CAS: 595-46-0) safe?

Dimethylmalonic acid (CAS: 595-46-0) is generally considered safe when handled properly. However, it may cause skin or eye irritation, so protective gloves and ventilation are recommended. Safety data sheets (SDS) indicate it is not classified as a hazardous substance under standard regulations, but precautions should be taken to avoid prolonged exposure. Always follow established safety protocols for chemical handling.

How should Dimethylmalonic acid (CAS: 595-46-0) be stored?

Dimethylmalonic acid (CAS: 595-46-0) should be stored in a cool, dry place, ideally at 25°C, in airtight containers to prevent moisture ingress. It is stable under normal storage conditions but should be protected from light and incompatible materials. Ensure storage areas are well-ventilated, and keep the compound away from heat sources to maintain its integrity and safety.