3,5-Dimethoxybenzyl alcohol

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Molecular Formula:

C9H12O3

Molecular Weight:

168.19

CAS Number:

705-76-0

Catalog Number:

705-76-0

Product Information

Molecular Formula:

C9H12O3

Molecular Weight:

168.19

Description

3,5-Dimethoxybenzyl alcohol (CAS# 705-76-0) is used in the synthesis of Resveratrol (R150000).

Synonyms

(3,5-dimethoxyphenyl)methanol

IUPAC Name

(3,5-dimethoxyphenyl)methanol

Canonical SMILES

COC1=CC(=CC(=C1)CO)OC

InChI

InChI=1S/C9H12O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5,10H,6H2,1-2H3

InChI Key

AUDBREYGQOXIFT-UHFFFAOYSA-N

Boiling Point

299.1 °C at 760 mmHg

Melting Point

46-50 °C

Flash Point

>230 °F

Purity

> 98.0 % (GC)

Density

1.111 g/cm³

Appearance

White to yellow-beige crystalline solid

Refractive Index

1.5470 (estimate)

LogP

1.19610

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

168.078644241 g/mol

Monoisotopic Mass

168.078644241 g/mol

Topological Polar Surface Area

38.7Å²

Heavy Atom Count

Formal Charge

Complexity

115

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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3,5-Dimethoxybenzyl alcohol

Product Information

Computed Properties

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