Guaiacol

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For Research Use Only.

Category

Phenols

Cat.No.

NP4574

CAS

90-05-1

Product Name

Guaiacol

Structure

Product Details

Description

Guaiacol is a phenolic natural product first isolated from Guaiac resin, as well as the oxidation of lignin. Guaiacol is an agent that is believed to have disinfecting properties and is used as an expectorant.

Synonyms

o-Methoxyphenol; 2-Hydroxyanisole; Phenol, 2-methoxy-; Pyroguaiac acid; Pyrocatechol monomethyl ether; 1-Hydroxy-2-methoxybenzene

IUPAC Name

2-methoxyphenol

Molecular Weight

124.14

Molecular Formula

C7H8O2

Canonical SMILES

COC1=CC=CC=C1O

InChI

InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

InChIKey

LHGVFZTZFXWLCP-UHFFFAOYSA-N

Boiling Point

greater than or equal to 397.4 °F at 760 mmHg

Melting Point

less than -4 °F

Flash Point

165 °F

Density

greater than 1.076 at 77 °F

Solubility

Soluble in Chloroform (Slightly), Methanol (Slightly)

Appearance

Colorless to Pale Orange Oil to Low-Melting Solid

Storage

4°C, Inert atmosphere, Light sensitive

BRN

508112

Chemical Properties

Guaiacol has a characteristic sweet odor. It is slightly phenolic.

Color

Clear colorless to light yellow

Definition

ChEBI: A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.

EINECS

201-964-7

Form

Liquid After Melting

Hazard Class

Xn,T,Xi

Hazard Codes

6.1(b)

HS Code

29095010

Packing Groups

5.4 (10g/L, H2O, 20 °C)

pKa

9.98(at 25 °C)

Purification Methods

Crystallise guaiacol from *benzene/pet ether or distil it in a vacuum.

Refractive Index

1.5429 at 20 °C/D

RIDADR

2810

Risk Statements

22-36/38

RTECS

SL7525000

Safety Statements

Stability

Soln deposits calcium hydroxide & calcium carbonate on standing

Toxicity

LD50 orally in rats: 725 mg/kg (Taylor)

Uses

Guaiacol is a precursor of vanillin and santalidol (a synthetic sandal-
wood fragrance). it is obtained from wood tar by the destructive
distillation of hardwood, by the distillation of the phenol fraction
of coal tar, or through the use of o-dichlorobenzene. it is processed
to yield vanillin.

Vapor Density

4.27 (vs air)

Vapor Pressure

0.11 mm Hg ( 25 °C)

Water Solubility

17 g/L (15 °C)

WGK Germany

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