(2,5-Dimethoxyphenyl)methanol - ≥98% , CAS No.33524-31-1

CAS: 33524-31-1 Cat. No.: D588765 Molecular Weight: 168.19 Beilstein Registry Number: 1947607 EC Number: 251-562-0

GRADE & PURITY ≥98%

Synonyms

EN300-21707 | SY283768 | BS-42237 | SCHEMBL487944 | EINECS 251-562-0 | AKOS000121223 | MFCD00004615 | Z104509944 | InChI=1/C9H12O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5,10H,6H2,1-2H3 | Benzenemethanol, 2,5-dimethoxy- | J-019235 | 1-(Hydroxymethyl)-2,5-dimeth

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Product Application:

2,5-Dimethoxybenzyl alcohol was used as starting reagent in the synthesis of [(S)S]-3,6-dimethoxy-2-(p-tolylsulfinyl)-benzaldehyde. It was used in the synthesis of daunornycinone. It was also used in the preparation of pillar[n]arenes (n = 5 or 6) via cyclooligomerization reaction with an appropriate Lewis acid catalyst.

Specifications

Synonyms

EN300-21707 | SY283768 | BS-42237 | SCHEMBL487944 | EINECS 251-562-0 | AKOS000121223 | MFCD00004615 | Z104509944 | InChI=1/C9H12O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5, 10H, 6H2, 1-2H3 | Benzenemethanol, 2, 5-dimethoxy- | J-019235 | 1-(Hydroxymethyl)-2, 5-dimeth

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=CC(=C(C=C1)OC)CO
• IUPAC Name: (2,5-dimethoxyphenyl)methanol
• InChIKey: WGQMUABRZGUAOS-UHFFFAOYSA-N
• INCHI: 1S/C9H12O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5,10H,6H2,1-2H3
• Isomeric SMILES: COC1=CC(=C(C=C1)OC)CO
• WGK Germany: 3
• Molecular Weight: 168.19
• Beilstein: 1947607
• Reaxy-Rn: 1947607
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1947607&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: P-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

Associated Targets(non-human)

Trypanosoma cruzi (99888 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.547
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 122-125°C/1mmHg
• Molecular Weight: 168.190 g/mol
• XLogP3: 1.000
• 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