3-Methoxy-4-hydroxyphenylglycol(HMPG) - Moligand™,≥95% , CAS No.534-82-7

CAS: 534-82-7 Cat. No.: M1369229 Molecular Weight: 184.19 EC Number: 999-084-8

GRADE & PURITY Moligand™, ≥95%

Synonyms

1-(4-Hydroxy-3-methoxyphenyl)-1,2-ethanediol | (3-Methoxy-4-hydroxyphenyl)ethylene Glycol | (4-Hydroxy-3-methoxyphenyl)ethylene Glycol | MHPG | MOPEG

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1-(4-Hydroxy-3-methoxyphenyl)-1, 2-ethanediol | (3-Methoxy-4-hydroxyphenyl)ethylene Glycol | (4-Hydroxy-3-methoxyphenyl)ethylene Glycol | MHPG | MOPEG

Specifications & Purity

Moligand™, ≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COC1=C(C=CC(=C1)C(CO)O)O
• IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol
• InChIKey: FBWPWWWZWKPJFL-UHFFFAOYSA-N
• INCHI: 1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3
• Isomeric SMILES: COC1=C(C=CC(=C1)C(CO)O)O
• Molecular Weight: 184.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Secondary alcohol - 1,2-diol - Ether - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: a guaiacol

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

• Sensitivity: Moisture sensitive
• Boil Point(°C): 392.9±42.0 °C at 760 mmHg
• Melt Point(°C): 114-116 °C
• Molecular Weight: 184.190 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.074 Da
• Monoisotopic Mass: 184.074 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1