3-ethyl-3-methylpentanedioic acid

Inquiry

Molecular Formula:

C8H14O4

Molecular Weight:

174.19

CAS Number:

5345-01-7

Catalog Number:

5345-01-7

Product Information

Molecular Formula:

C8H14O4

Molecular Weight:

174.19

Description

3-Ethyl-3-methylpentanedioic acid is a multifunctional bioactive compound widely used for pharmacological intervention in various pathological conditions, including metabolic syndrome and diabetes. This special pharmacological activity can regulate glucose and lipid metabolism, thereby triggering a series of synergistic effects.

Synonyms

B-METHYL-B-ETHYLGLUTARIC ACID; BETA-ETHYL-BETA-METHYLGLUTARIC ACID; B-ETHYL-B-METHYLGLUTARIC ACID; 3-ETHYL-3-METHYLGLUTARIC ACID; 3-ethyl-3-methylpentanedioic acid; 3-ETHYL-3-METHYLGLUTARIC ACID 97%; Einecs 226-294-2

IUPAC Name

3-ethyl-3-methylpentanedioic acid

Canonical SMILES

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

InChI

InChI=1S/C8H14O4/c1-3-8(2,4-6(9)10)5-7(11)12/h3-5H2,1-2H3,(H,9,10)(H,11,12)

InChI Key

XAWFHZMTJUGGEE-UHFFFAOYSA-N

Boiling Point

345.17°C (rough estimate)

Melting Point

77-81 °C(lit.)

Purity

>98.0%(T)

Density

1.162g/cm3

Appearance

White to Almost white powder to crystal

Refractive Index

1.4362 (estimate)

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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

174.08920892 g/mol

Monoisotopic Mass

174.08920892 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

170

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-114031744-A	Diisocyanate carbomethoxycyclohexane composition, modified composition thereof and preparation method	2021-11-29
CN-112831033-A	Method for synthesizing aromatic-aliphatic copolyester without catalyst and product thereof	2021-01-05
JP-6960036-B1	Neutral dampening water composition for offset printing and concentrated dampening water composition	2020-11-26
CN-111978528-A	Method for synthesizing aromatic polyester without catalyst and product thereof	2020-09-02
CN-111978528-B	Method for synthesizing aromatic polyester without catalyst and product thereof	2020-09-02
WO-2022050278-A1	Curable resin composition, cured object, layered product, method for producing cured object, semiconductor device, and photobase generator	2020-09-01
JP-2022041899-A	Resin composition, resin film and display device	2020-08-31
JP-2022041900-A	Laminates and display devices	2020-08-31
JP-2022041901-A	Laminates and display devices	2020-08-31
WO-2022044822-A1	Resin composition, resin film, and display device	2020-08-31

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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3-ethyl-3-methylpentanedioic acid

Product Information

Safety Information

Computed Properties

Patents

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