2,2-DIISOAMYL-1,3-PROPANEDIOL

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Molecular Formula:

C13H28O2

Molecular Weight:

216.36

CAS Number:

403519-64-2

Catalog Number:

403519-64-2

Product Information

Molecular Formula:

C13H28O2

Molecular Weight:

216.36

Description

2,2-Diisoamyl-1,3-Propanediol is a chemical compound used in the pharmaceutical industry. It is incorporated into formulations of drugs used to treat skin diseases, thanks to its moisturizing properties. Also, it is beneficial for the development of cosmetic dermatological preparations.

Synonyms

2,2-DIHYDROXY-2,2-DIISOPENTYLPROPANE; 2,2-DIISOAMYL-1,3-PROPANEDIOL; 2,2-DIISOPENTYL-1,3-PROPANEDIOL; 2,2-DIISOPENTYL-2,2-DIHYDROXYPROPANE

IUPAC Name

2,2-bis(3-methylbutyl)propane-1,3-diol

Canonical SMILES

CC(C)CCC(CCC(C)C)(CO)CO

InChI

InChI=1S/C13H28O2/c1-11(2)5-7-13(9-14,10-15)8-6-12(3)4/h11-12,14-15H,5-10H2,1-4H3

InChI Key

CRJRLBBFSRNKLY-UHFFFAOYSA-N

Melting Point

92 °C

Purity

>98.0%(GC)

Appearance

White to Almost white powder to crystal

Computed Properties

XLogP3

3.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

216.208930132 g/mol

Monoisotopic Mass

216.208930132 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

135

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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2,2-DIISOAMYL-1,3-PROPANEDIOL

Product Information

Computed Properties

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