Neopentanediol dimethacrylate

Inquiry

Molecular Formula:

C13H20O4

Molecular Weight:

240.30

CAS Number:

1985-51-9

Catalog Number:

1985-51-9

Product Information

Molecular Formula:

C13H20O4

Molecular Weight:

240.30

Description

Neopentanediol dimethacrylate is an essential biomedicine compound that plays a crucial role in dental materials. Functioning as a cross-linking agent for dental composite resins, it remarkably improves their mechanical properties and wear resistance. Demonstrating exceptional biocompatibility, this compound contributes significantly to durable and aesthetically pleasing restorations in dental treatments, ensuring strength and longevity.

Synonyms

DIMETHYLTRIMETHYLENE GLYCOL DIMETHACRYLATE; 2,2-DIMETHYLPROPANEDIOL DIMETHACRYLATE; 2,2-DIMETHYL-1,3-PROPANEDIOL DIMETHACRYLATE; 1,3-BIS(METHACRYLOYLOXY)-2,2-DIMETHYLPROPANE; NEOPENTYL GLYCOL DIMETHACRYLATE; 2,2-Dimethylpropanedimethacrylate; 2-Propenoicacid,2

IUPAC Name

[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

Canonical SMILES

CC(=C)C(=O)OCC(C)(C)COC(=O)C(=C)C

InChI

InChI=1S/C13H20O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h1,3,7-8H2,2,4-6H3

InChI Key

ULQMPOIOSDXIGC-UHFFFAOYSA-N

Boiling Point

87 °C0.6 mm Hg(lit.)

Melting Point

5°C

Flash Point

>230 °F

Purity

>90.0%(GC)

Density

1.003 g/mL at 25 °C(lit.)

Appearance

Colorless to Almost colorless clear liquid

Refractive Index

n20/D 1.453(lit.)

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

3.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

240.13615911 g/mol

Monoisotopic Mass

240.13615911 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

307

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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Neopentanediol dimethacrylate

Product Information

Safety Information

Computed Properties

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