2,2-Dimethylpentanedioic acid

Basic Information

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CAS Number

681-57-2

Molecular Formula

C7H12O4

Molecular Weight

160.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

82-86 °C

Boiling Point

200°C/2mmHg

Density

1.3681 (rough estimate)

Water Solubility

It hydrolyzes with water.

Flash Point

149.7 °C

Refractive Index

1.4328 (estimate)

SMILES

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

InChI

InChI=1S/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)

InChIKey

BTUDGPVTCYNYLK-UHFFFAOYSA-N

LogP

0.962

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

171

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

Sensitiveness

Prone to absorbing moisture

Synonyms & References

English

D1786
InChI=1/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)
AC-5286
MFCD00004197
glutaric acid, 2,2-dimethyl-
681-57-2
DTXCID501585
FT-0609272
2,2-Dimethylpentanedioic acid
EINECS 211-655-9
EN300-91505
D79772
1,1-DIMETHYL-1,3-PROPANEDICARBOXYLIC ACID
2,2-Dimethylglutaric acid?
SCHEMBL68460
2.2-dimethyl-glutaric acid
2,2-Dimethylglutaricacid
A9090
D-5300
2,2-Dimethylpentane-1,5-dioic acid
BTUDGPVTCYNYLK-UHFFFAOYSA-
CS-W017939
Z1255464958
Q27136954
Pentanedioic acid,2-dimethyl-
Pentanedioic acid, 2,2-dimethyl-
AKOS015841125
CHEBI:68459
CHEMBL3184301
SY048984
Tox21_200525

MDL Number

MFCD00004197

Customs Code

29171990

FAQ

What is 2,2-Dimethylpentanedioic acid (CAS: 681-57-2)?

2,2-Dimethylpentanedioic acid, also known as 2,2-dimethylglutaric acid (CAS: 681-57-2), is a dicarboxylic acid with the molecular formula C6H10O4. It is a colorless solid and soluble in water. This compound is used in the synthesis of various chemicals and pharmaceuticals.

What are the main uses of 2,2-Dimethylpentanedioic acid (CAS: 681-57-2)?

2,2-Dimethylpentanedioic acid (CAS: 681-57-2) is primarily used in the synthesis of resins, plasticizers, and as a precursor for other organic compounds. It also finds applications in the pharmaceutical industry as a building block for drug synthesis.

Is 2,2-Dimethylpentanedioic acid (CAS: 681-57-2) safe?

2,2-Dimethylpentanedioic acid (CAS: 681-57-2) is generally safe when handled with proper protective measures. However, it is corrosive to metals and skin, and exposure should be avoided. Protective gloves and safety glasses are recommended during handling.

How should 2,2-Dimethylpentanedioic acid (CAS: 681-57-2) be stored?

2,2-Dimethylpentanedioic acid (CAS: 681-57-2) 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 and contamination. Avoid storing it near incompatible materials like oxidizers or acidic substances.