2,4-Dimethoxybenzyl alcohol - ≥98%(GC) , CAS No.7314-44-5

CAS: 7314-44-5 Cat. No.: D134007 Molecular Weight: 168.19 Beilstein Registry Number: 6(1)550 EC Number: 230-775-2

GRADE & PURITY ≥98%(GC)

Synonyms

Benzenemethanol, 2,4-dimethoxy- | PB47629 | 2,4-dimethoxyphenylmethanol | J12B4S8T1V | BENZYL ALCOHOL, 2,4-DIMETHOXY- | FT-0610138 | 1-(1-(2-((3-Chlorophenyl)methoxy)phenyl)ethenyl)-1H-imidazole hydrochloride | 2B1J2157CO | 2.4-Dimethoxybenzyl alcohol | R

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

It reacts with trifluoroacetic acid to yield calix[4]resorcinarene octamethyl ether, which on demethylation and acetylation yields the derived octa-acetate.

Specifications

Synonyms

Benzenemethanol, 2, 4-dimethoxy- | PB47629 | 2, 4-dimethoxyphenylmethanol | J12B4S8T1V | BENZYL ALCOHOL, 2, 4-DIMETHOXY- | FT-0610138 | 1-(1-(2-((3-Chlorophenyl)methoxy)phenyl)ethenyl)-1H-imidazole hydrochloride | 2B1J2157CO | 2.4-Dimethoxybenzyl alcohol | R

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504755554
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755554
• Canonical Smiles: COC1=CC(=C(C=C1)CO)OC
• IUPAC Name: (2,4-dimethoxyphenyl)methanol
• InChIKey: RNKOUSCCPHSCFE-UHFFFAOYSA-N
• INCHI: 1S/C9H12O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5,10H,6H2,1-2H3
• Isomeric SMILES: COC1=CC(=C(C=C1)CO)OC
• WGK Germany: 3
• Molecular Weight: 168.19
• Beilstein: 6(1)550
• Reaxy-Rn: 2091660
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2091660&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Benzyl alcohols Anisoles Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Benzyl alcohol - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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: Soluble in alcohol. Insoluble in water.
• Sensitivity: Air sensitive
• Flash Point(°F): >235.4 °F
• Flash Point(°C): >113 °C
• Boil Point(°C): 135 °C/2 mmHg
• Melt Point(°C): 36 °C
• Molecular Weight: 168.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.079 Da
• Monoisotopic Mass: 168.079 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 127.000
• 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