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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] |
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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 |
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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 |
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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.