Phenol, 2,6-dimethoxy-

Compound Structure:

Synonyms:

2,6-DIMETHOXYPHENOL; 91-10-1 ;Syringol; Pyrogallol ;1,3-dimethyl ether ;Phenol, 2,6-dimethoxy

Compound ID:

NMPC-1397

PubChem ID:

7041

Molecular Formula:

C8H10O3

Canonical SMILES:

COC1=C(C(=CC=C1)OC)O

InChIKey:

KLIDCXVFHGNTTM-UHFFFAOYSA-N

About the compound:

2,6-dimethoxyphenol is a member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6. It has a role as a plant metabolite. It is a member of phenols and a dimethoxybenzene.

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	154.16 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	154.062994177 g/mol
Monoisotopic Mass	154.062994177 g/mol
Topological Polar Surface Area	38.7Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	104
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	White or colourless crystals, woody medicinal rather dry odour
Boiling Point	260.00 to 261.00 °C. @ 760.00 mm Hg
Melting Point	55 - 56 °C
Density
Solubility	slightly soluble in water; soluble in oils

Source: PubChem

Source Species:

Rauvolfia vomitoria

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