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586-38-9

586-38-9 structural image
Product Name: 3-Methoxybenzoic acid
Formula: C8H8O3
Synonyms: m-Anisic acid;m-Methylsalicylic acid;3-Methoxybenzoic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White odorless powder; [Alfa Aesar MSDS]
Boiling Point 170.00 to 172.00 °C. @ 10.00 mm Hg
Melting Point 110.5 °C
Solubility soluble in boiling water, organic solvents
Vapor Pressure 0.0015 [mmHg]
LogP 2.02
Kovats Retention Index 1413
Chemical Classes Other Classes -> Benzoic Acid Derivatives

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 152.15 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 152.047344113 g/mol
Monoisotopic Mass 152.047344113 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 144
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

PRODUCT INTRODUCTION

description

3-methoxybenzoic acid is a methoxybenzoic acid that is benzoic acid substituted by a methoxy group at position 3. It has a role as a flavouring agent and a human urinary metabolite. It is functionally related to a 3-hydroxybenzoic acid. It is a conjugate acid of a 3-methoxybenzoate.

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