ACRYLIC ACID ISOAMYL ESTER

Inquiry

Molecular Formula:

C8H14O2

Molecular Weight:

142.2

CAS Number:

4245-35-6

Catalog Number:

4245-35-6

Product Information

Molecular Formula:

C8H14O2

Molecular Weight:

142.2

Description

ACRYLIC ACID ISOAMYL ESTER is a prominent biomedical compound and markedly unveils myriad applications in pharmaceutical formulations as a solvent and fragrance agent. Its versatile utility extends to drug synthesis, presenting as a key constituent in anti-inflammatory medications and local anesthetics. By virtue of its paramount significance, this ester efficaciously promotes alleviation of pain, amelioration of inflammation, and remediation of select dermatological disorders.

Synonyms

ACRYLIC ACID ISOAMYL ESTER; ISOPENTYL ACRYLATE; ISOAMYL ACRYLATE; acrylicacid3-methyl-butylester; Acrylic Acid Isoamyl Ester (stabilized with HQ); 3-methylbutyl prop-2-enoate; Isoamyl Acrylate (stabilized with HQ)

IUPAC Name

3-methylbutyl prop-2-enoate

Canonical SMILES

CC(C)CCOC(=O)C=C

InChI

InChI=1S/C8H14O2/c1-4-8(9)10-6-5-7(2)3/h4,7H,1,5-6H2,2-3H3

InChI Key

ZVYGIPWYVVJFRW-UHFFFAOYSA-N

Boiling Point

159 ℃

Flash Point

49 ℃

Purity

>98.0%(GC)

Density

0,9

Appearance

Colorless to Almost colorless clear liquid

Safety Information

Hazards

H226:
Flammable liquid and vapour.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.
H411:
Toxic to aquatic life with long-lasting effects.

Precautionary Statement

P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P370+P378:
In case of fire:
Use for extinction:
P391:
Collect spillage.

Computed Properties

XLogP3

2.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

142.099379685 g/mol

Monoisotopic Mass

142.099379685 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

116

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-114085327-A	Polyacrylate emulsion, coating, paper for beer label and preparation method	2021-12-23
CN-114014971-A	Preparation method and application of acrylic-based hydrogel antifouling material without volatile organic compounds	2021-11-25
CN-113885245-A	Liquid crystal dimming film with high mechanical property, low driving voltage and high contrast and preparation method thereof	2021-11-02
JP-2021183705-A	Acrylic adhesive composition	2021-09-01
KR-102326783-B1	a fiber coating composition for electromagnetic shielding	2021-08-31
KR-102353907-B1	Painting method for long life of concrete structures with good neutralization recovery, UV protection and durability	2021-08-17
CN-113555558-A	Emulsion type binder and lithium ion battery comprising same	2021-07-12
CN-113150614-A	Radiation-curable ink-jet fluid, spray ink and application thereof	2021-05-28
CN-113293650-A	Antistatic lining paper	2021-05-10
JP-2021152156-A	Thermoplastic elastomer composition, molded article, laminated structure and method for manufacturing the laminated structure	2021-04-27

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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