1,4-Dioxan-2-one

Inquiry

Molecular Formula:

C4H6O3

Molecular Weight:

102.09

CAS Number:

3041-16-5

Catalog Number:

3041-16-5

Product Information

Molecular Formula:

C4H6O3

Molecular Weight:

102.09

Description

1,4-Dioxan-2-one (CAS# 3041-16-5) is used in the synthesis of novel copolymers and tri-block polymers.

Synonyms

1,4-dioxan-2-one; 1,4-dioxan-2-one

IUPAC Name

1,4-dioxan-2-one

Canonical SMILES

C1COC(=O)CO1

InChI

InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2

InChI Key

VPVXHAANQNHFSF-UHFFFAOYSA-N

Boiling Point

215 °C

Melting Point

28 °C

Flash Point

86 °C

Purity

> 98.0 % (GC)

Density

1.2 g/cm³

Appearance

White to almost white powder to lump

Storage

0-10 °C

LogP

-0.44020

Safety Information

Hazards

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

Precautionary Statement

P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P337+P313, and P362

Signal Word

Danger

Computed Properties

XLogP3

-0.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

102.031694049 g/mol

Monoisotopic Mass

102.031694049 g/mol

Topological Polar Surface Area

35.5Å²

Heavy Atom Count

Formal Charge

Complexity

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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1,4-Dioxan-2-one

Product Information

Safety Information

Computed Properties

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