Methyl 4-hydroxybenzoate sodium salt - ≥99% , CAS No.5026-62-0

CAS: 5026-62-0 Cat. No.: M102796 Molecular Weight: 174.13 EC Number: 225-714-1

GRADE & PURITY ≥99%

Synonyms

FT-0635516 | UNII-CR6K9C2NHK | D02458 | Methylis parahydroxybenzoas natricum | SODIUM METHYL PARAHYDROXYBENZOATE [EP MONOGRAPH] | MFCD00016470 | Q-201383 | Benzoic acid, 4-hydroxy-, methyl ester, sodium salt | Paratexin ms | Paridol mna | Methyl 4-hydroxy

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Methylparaben Sodium Salt is used as postharvest treatment against citrus green and blue molds since it possess curative antifungal activity.

Specifications

Synonyms

FT-0635516 | UNII-CR6K9C2NHK | D02458 | Methylis parahydroxybenzoas natricum | SODIUM METHYL PARAHYDROXYBENZOATE [EP MONOGRAPH] | MFCD00016470 | Q-201383 | Benzoic acid, 4-hydroxy-, methyl ester, sodium salt | Paratexin ms | Paridol mna | Methyl 4-hydroxy

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488200385
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200385
• Canonical Smiles: COC(=O)C1=CC=C(C=C1)[O-].[Na+]
• IUPAC Name: sodium;4-methoxycarbonylphenolate
• InChIKey: PESXGULMKCKJCC-UHFFFAOYSA-M
• INCHI: 1S/C8H8O3.Na/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5,9H,1H3;/q;+1/p-1
• Isomeric SMILES: COC(=O)C1=CC=C(C=C1)[O-].[Na+]
• WGK Germany: 1
• Molecular Weight: 174.13
• Reaxy-Rn: 4165000
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4165000&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Phenoxides Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Phenoxide - Methyl ester - Carboxylic acid ester - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Solubility: 418 g/l 20 °C
• Sensitivity: Moisture sensitive.
• Melt Point(°C): >125°C
• Molecular Weight: 174.130 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 174.029 Da
• Monoisotopic Mass: 174.029 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 141.000
• 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: 2

XLogP3

References

1. Kexin Fan, Jiayang Zeng, Chenyu Yang, Gonglei Wang, Kai Lian, Xiuhong Zhou, Yaping Deng, Guozhen Liu.  (2022)  Digital Quantification Method for Sensitive Point-of-Care Detection of Salivary Uric Acid Using Smartphone-Assisted μPADs.  ACS Sensors,      [PMID:35820152] [10.1021/acssensors.2c00854]

2. Yaoping Guo, Keng Xuan, Yifan Li, Chenxi Pu, Zequan Zeng, Zhanggen Huang, Yadan Guo, Hao Ruan, Jiale Li.  (2022)  Effect of activation time on sulfur-doped porous carbon for efficient degradation of organic pollutants with persulfate.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.129612]

3. Yaoping Guo, Keng Xuan, Chenxi Pu, Yifan Li, Yaxiong Huang, Yadan Guo, Meiyu Jia, Jiale Li, Hao Ruan.  (2022)  Effect of activator/precursor mass ratio on sulfur-doped porous carbon for catalytic oxidation of aqueous organics with persulfate.  CHEMOSPHERE,      [PMID:35660400] [10.1016/j.chemosphere.2022.135192]