2-Methylresorcinol - ≥98%(GC) , CAS No.608-25-3

CAS: 608-25-3 Cat. No.: M133940 Formula: C₇H₈O₂ Molecular Weight: 124.14 Beilstein Registry Number: 6878 EC Number: 210-155-8

GRADE & PURITY ≥98%(GC)

Synonyms

DTXSID0025571 | ORISTAR MR | Resorcinol, 2-methyl- | DTXCID005571 | M1109 | 2,6-Dihydroxytoluene | 2,6-Dihydroxy-toluene | 2-METHYLRESORCINOL [INCI] | 2-Methylresorcin | 2-Methylresorcinol, technical grade, 90% | M-4340 | AI3-61050 | EINECS 210-155-8 | ME

Storage

Room temperature

Shipped In

Normal

Overview

The reaction between 2-methylresorcinol and 2-alkenals was studied to investigate the scavenging ability of m-diphenols for the 2-alkenals formed during lipid oxidation.
2-Methylresorcinol was used in the synthesis of: C-5-bromo-2-hydroxyphenylcalix[4]-2-methylresorcinarene; tripyrrane analogs; series of novel aromatic benziporphyrins.

Specifications

Synonyms

DTXSID0025571 | ORISTAR MR | Resorcinol, 2-methyl- | DTXCID005571 | M1109 | 2,6-Dihydroxytoluene | 2,6-Dihydroxy-toluene | 2-METHYLRESORCINOL [INCI] | 2-Methylresorcin | 2-Methylresorcinol, technical grade, 90% | M-4340 | AI3-61050 | EINECS 210-155-8 | ME

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488181447

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181447

Canonical Smiles

CC1=C(C=CC=C1O)O

IUPAC Name

2-methylbenzene-1,3-diol

InChIKey

ZTMADXFOCUXMJE-UHFFFAOYSA-N

INCHI

1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3

Isomeric SMILES

CC1=C(C=CC=C1O)O

WGK Germany

3

RTECS

VH2009500

UN Number

2811

Packing Group

III

Molecular Weight

124.14

Beilstein

6878

Reaxy-Rn

2042177

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042177&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• Alternative Parents: Ortho cresols Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Resorcinol - O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (140 mg/ml at 20 °C), and methanol.
• Flash Point(°F): 275 °F
• Flash Point(°C): 135 °C
• Boil Point(°C): 264 °C (lit.)
• Melt Point(°C): 119-123°C
• Molecular Weight: 124.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 124.052 Da
• Monoisotopic Mass: 124.052 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 82.900
• 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