Diallyl maleate

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Molecular Formula:

C10H12O4

Molecular Weight:

196.20

CAS Number:

999-21-3

Catalog Number:

999-21-3

Product Information

Molecular Formula:

C10H12O4

Molecular Weight:

196.20

Description

Diallyl maleate is a ubiquitous compound in the biomedical sector and serves as a pivotal pharmaceutical intermediate facilitating the synthesis of respiratory ailment medications like asthma and chronic obstructive pulmonary disease (COPD) treatments.

Synonyms

Sipomer DAM; Maleic acid, diallyl ester; Diallylester kyseliny maleinove; 2-Butenedioic acid (Z)-, di-2-propenyl ester; NSC 4799; Diprop-2-en-1-yl (2Z)-but-2-enedioate; 2-Butenedioic acid (2Z)-, 1,4-di-2-propen-1-yl ester

IUPAC Name

bis(prop-2-enyl) (Z)-but-2-enedioate

Canonical SMILES

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

InChI

InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-

InChI Key

ZPOLOEWJWXZUSP-WAYWQWQTSA-N

Boiling Point

263.7±20.0°C at 760 mmHg

Melting Point

−47°C

Flash Point

249.8 °CF - closed cup

Purity

≥95%

Density

1.1±0.1 g/cm3

Solubility

Soluble in Water

Appearance

Liquid

Storage

Store at 2-8°C

Refractive Index

n20/D 1.469 (lit.)

Safety Information

Hazards

H301 - H312 - H315 - H319 - H335

Precautionary Statement

P280 - P301 + P310 + P330 - P302 + P352 + P312 - P305 + P351 + P338

Computed Properties

XLogP3

1.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

196.07355886 g/mol

Monoisotopic Mass

196.07355886 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

227

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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Diallyl maleate

Product Information

Safety Information

Computed Properties

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