2,2-Dimethylglutaric anhydride

Inquiry

Molecular Formula:

C7H10O3

Molecular Weight:

142.16

CAS Number:

2938-48-9

Catalog Number:

2938-48-9

Product Information

Molecular Formula:

C7H10O3

Molecular Weight:

142.16

Description

2,2-Dimethylglutaric anhydride is a biochemical substance used prominently in the synthesis of pharmaceuticals. It serves as a vital intermediate in the preparation of specific medications used to treat hereditary tyrosinemia, a genetic disorder causing liver and kidney disease.

Synonyms

3,3-Dimethyldihydro-2H-pyran-2,6(3H)-dione; 2H-Pyran-2,6(3H)-dione, dihydro-3,3-dimethyl-; alpha,alpha-Dimethylglutaric anhydride

IUPAC Name

3,3-dimethyloxane-2,6-dione

Canonical SMILES

CC1(CCC(=O)OC1=O)C

InChI

InChI=1S/C7H10O3/c1-7(2)4-3-5(8)10-6(7)9/h3-4H2,1-2H3

InChI Key

PAVNZLVXYJDFNR-UHFFFAOYSA-N

Boiling Point

175-180 °C at 60 mmHg

Melting Point

34-38 °C

Flash Point

235.4 °CF

Purity

96%

Density

1.102 g/cm3

Appearance

white crystals or crystalline powder

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

XLogP3

0.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

142.062994177 g/mol

Monoisotopic Mass

142.062994177 g/mol

Topological Polar Surface Area

43.4Å²

Heavy Atom Count

Formal Charge

Complexity

181

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Volume _(start)

Concentration _(final)

Volume _(final)

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2,2-Dimethylglutaric anhydride

Product Information

Safety Information

Computed Properties

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