Allylmalonic acid

Basic Information

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CAS Number

2583-25-7

Molecular Formula

C6H8O4

Molecular Weight

144.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

102-105 °C

Boiling Point

182.71°C (rough estimate)

Flash Point

171.2°C

Refractive Index

1.4434 (estimate)

SMILES

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

InChI

InChI=1S/C6H8O4/c1-2-3-4(5(7)8)6(9)10/h2,4H,1,3H2,(H,7,8)(H,9,10)

InChIKey

ZDZVKPXKLLLOOA-UHFFFAOYSA-N

LogP

0.3478999999999999

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

147

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

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

Synonyms & References

English

2-allylmalonic acid
59UX4PT5LH
2-allylmalonicacid
PROPANEDIOIC ACID, 2-(2-PROPEN-1-YL)-
SCHEMBL31636
2583-25-7
Propanedioic acid, 2-propenyl-
D94727
FS-4329
MFCD00014347
NSC-46718
CAA58325
AKOS005206865
CS-0158010
FT-0622048
67ED308F-A2D5-4636-9C1A-3028F5423E0E
3-Butene-1,1-dicarboxylic acid
2-(prop-2-en-1-yl)propanedioic acid
NS00027976
Allymalonic Acid
DTXSID30180485
NSC46718
EINECS 219-958-8
Malonic acid, allyl-
2-prop-2-enylpropanedioic acid
NSC 46718
2-(2-PROPEN-1-YL)PROPANEDIOIC ACID
Allylmalonic acid
J-016145
BCP28668
Allylmalonic acid, >=98.0% (T)

MDL Number

MFCD00014347

Customs Code

2917190090

FAQ

What is Allylmalonic acid (CAS: 2583-25-7)?

Allylmalonic acid (CAS: 2583-25-7) is an organic compound with the molecular formula C5H8O4. It is a malonic acid derivative containing an allyl group. Allylmalonic acid has a pungent odor and is soluble in water and organic solvents.

What are the main uses of Allylmalonic acid (CAS: 2583-25-7)?

Allylmalonic acid (CAS: 2583-25-7) is primarily used in the synthesis of pharmaceutical intermediates, as a reagent in organic synthesis, and in the production of certain polymers. It also finds applications in the preparation of chiral compounds and as a starting material for the synthesis of bioactive molecules.

Is Allylmalonic acid (CAS: 2583-25-7) safe?

Allylmalonic acid (CAS: 2583-25-7) is generally considered safe when handled properly. However, it may cause skin irritation and should be used with appropriate personal protective equipment such as gloves and safety goggles. It is important to follow safety data sheet (SDS) guidelines and work in a well-ventilated area.

How should Allylmalonic acid (CAS: 2583-25-7) be stored?

Allylmalonic acid (CAS: 2583-25-7) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should not exceed 25°C. Avoid contact with strong acids, bases, and oxidizers. Handle with care to prevent spillage and ensure proper disposal according to local regulations.