1,16-Hexadecanediol

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Molecular Formula:

C16H34O2

Molecular Weight:

258.44

CAS Number:

7735-42-4

Catalog Number:

7735-42-4

Product Information

Molecular Formula:

C16H34O2

Molecular Weight:

258.44

Description

1,16-Hexadecanediol (CAS# 7735-42-4) is a useful research chemical.

Synonyms

hexadecane-1,16-diol

IUPAC Name

hexadecane-1,16-diol

Canonical SMILES

C(CCCCCCCCO)CCCCCCCO

InChI

InChI=1S/C16H34O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2

InChI Key

GJBXIPOYHVMPQJ-UHFFFAOYSA-N

Boiling Point

197-199 °C (3 mmHg)

Melting Point

91-94 °C

Purity

95 %

Density

0.898 g/cm³

Appearance

White to almost white powder to crystal

Refractive Index

1.4760 (estimate)

LogP

4.43240

Safety Information

Hazards

H315

Precautionary Statement

P264, P280, P302+P352, P321, P332+P313, and P362

Signal Word

Warning

Computed Properties

XLogP3

5.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

258.255880323 g/mol

Monoisotopic Mass

258.255880323 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

121

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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Concentration _(final)

Volume _(final)

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1,16-Hexadecanediol

Product Information

Safety Information

Computed Properties

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