2,2-Dipropylmalonic acid

Inquiry

Molecular Formula:

C9H16O4

Molecular Weight:

188.221

CAS Number:

1636-27-7

Catalog Number:

1636-27-7

Product Information

Molecular Formula:

C9H16O4

Molecular Weight:

188.221

Description

2,2-Dipropylmalonic acid is an indispensable pharmaceutical intermediate in biomedical applications. It promotes the synthesis of a variety of drugs, including neurological abnormalities, metabolic abnormalities, and cardiovascular complications.

Synonyms

Heptane-4,4-dicarboxylic Acid

IUPAC Name

2,2-dipropylpropanedioic acid

Canonical SMILES

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

InChI

InChI=1S/C9H16O4/c1-3-5-9(6-4-2,7(10)11)8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)

InChI Key

DIRSQLKNZQKDBK-UHFFFAOYSA-N

Boiling Point

345.8±25.0 °C(Predicted)

Melting Point

154-156°C

Purity

>99.0%(GC)(T)

Density

1.131±0.06 g/cm3(Predicted)

Appearance

White to Almost white powder to crystal

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

2.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

188.10485899 g/mol

Monoisotopic Mass

188.10485899 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

176

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

Patents

Publication Number	Title	Priority Date
CN-113372691-A	Resin composition, reinforcing liquid, reinforcing layer, and optical protective film	2021-06-23
JP-6960036-B1	Neutral dampening water composition for offset printing and concentrated dampening water composition	2020-11-26
CN-112174169-A	Method for recovering potassium chloride from high-salt valproate wastewater	2020-11-06
CN-112174169-B	Method for recovering potassium chloride from high-salt valproate wastewater	2020-11-06
CN-112142588-A	Recovery of 2-propylmalonic acid and method for preparing valproic acid by using same	2020-10-22
CN-112142588-B	Recovery of 2-propylmalonic acid and method for preparing valproic acid by using same	2020-10-22
JP-2022038777-A	Adhesive composition, cured product and adhesive sheet	2020-08-27
WO-2021261519-A1	Curable composition, urethane resin, and heat dissipation member	2020-06-26
JP-2022001611-A	Room temperature curable organopolysiloxane compositions and articles	2020-06-19
JP-2021187820-A	Hydrolyzable organosilane compound and its production method	2020-06-05

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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