Methyl 3,5-dimethoxy-4-hydroxybenzoate - ≥98% , CAS No.884-35-5

CAS: 884-35-5 Cat. No.: M334230 Molecular Weight: 212.2 EC Number: 618-163-7

GRADE & PURITY ≥98%

Synonyms

M2806 | MFCD00017199 | Syringic acid monomethyl ester | UNII-W5A196MP8A | Fenaluz Turquoise G | SBB016976 | SY032894 | CHEBI:45820 | HMS3886A03 | DTXSID00237016 | TH 287 | NSC-611398 | methyl (4-hydroxy-3,5-dimethoxy)benzoate | NOVOPRIME F 258 | AI3-36426

Storage

Room temperature

Shipped In

Normal

Overview

application：

The scheme of laccase-catalysed iodide oxidation includes stadium of MS interaction with oxidized laccase with concomitant production of MS(ox). Thereaction of MS(ox) with iodide produced triiodide.

Specifications

Synonyms

M2806 | MFCD00017199 | Syringic acid monomethyl ester | UNII-W5A196MP8A | Fenaluz Turquoise G | SBB016976 | SY032894 | CHEBI:45820 | HMS3886A03 | DTXSID00237016 | TH 287 | NSC-611398 | methyl (4-hydroxy-3, 5-dimethoxy)benzoate | NOVOPRIME F 258 | AI3-36426

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Action Type

ACTIVATOR

Purity

≥98%

Product Properties

• pKa: pKₐ: 8.38 (Predicted)

Names and Identifiers

• Pubchem Sid: 488184493
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184493
• Canonical Smiles: COC1=CC(=CC(=C1O)OC)C(=O)OC
• IUPAC Name: methyl 4-hydroxy-3,5-dimethoxybenzoate
• InChIKey: ZMXJAEGJWHJMGX-UHFFFAOYSA-N
• INCHI: 1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)C(=O)OC
• Molecular Weight: 212.2
• Reaxy-Rn: 2217524
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2217524&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Gallic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives
• Direct Parent: Gallic acid and derivatives
• Alternative Parents: p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives Methoxyphenols Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Phenol - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
• External Descriptors: phenols - dimethoxybenzene - benzoate ester

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol, ether, slightly soluble in water.
• Refractive Index: n20D1.53 (Predicted)
• Boil Point(°C): ~339.9° C at 760 mmHg (Predicted)
• Melt Point(°C): 103-107° C
• Molecular Weight: 212.200 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 212.068 Da
• Monoisotopic Mass: 212.068 Da
• Topological Polar Surface Area: 65.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 204.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Ni Shuzhen, Liu Na, Fu Yingjuan, Gao Hailong, Qin Menghua.  (2021)  Laccase mediated phenol/chitosan treatment to improve the hydrophobicity of Kraft pulp.  CELLULOSE,  28  (7): (4397-4409).  [PMID:] [10.1007/s10570-021-03766-1]

2. Bin Zeng, Xin-Li Zhu, Ming-Long Wang, Jing-Jing Zhang, Lin-Xuan Wang, Fan Wu, Hong-Liang Li.  (2025)  Rapid electrochemical determination of methyl syringate in rapeseed honey using activated gold screen-printed electrode.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.114200]

3. Tianyin Huang, Yifan Yu, Wentao Zhang, Yue Zhao, Yiliang Tao, Wenguang Huang, Bingdang Wu.  (2026)  Molecular orbital-guided design of laccase–mediator systems for antibiotic removal in the presence of humic acid.  BIORESOURCE TECHNOLOGY,      [PMID:41513177] [10.1016/j.biortech.2026.133957]