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

CAS: 608-25-3 Cat. No.: M133940 Formule: C₇H₈O₂ Poids moléculaire: 124.14 Beilstein Registry Number: 6878 Numéro CE: 210-155-8

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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.

Spécifications

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488181447

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CC1=C(C=CC=C1O)O

WGK Allemagne

3

RTECS

VH2009500

Numéro ONU

2811

Groupe d'emballage

III

Poids moléculaire

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
    • Classe Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (140 mg/ml at 20 °C), and methanol.
• Point d'éclair (°F): 275 °F
• Point d'éclair (°C): 135 °C
• Point d'ébullition (°C): 264 °C (lit.)
• Point de fusion (°C): 119-123°C
• Poids moléculaire: 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