2,4-Dimethoxyphenol - ≥98% , CAS No.13330-65-9

CAS: 13330-65-9 Cat. No.: D190590 Molecular Weight: 154.16 EC Number: 842-252-1

GRADE & PURITY ≥98%

Synonyms

SCHEMBL595280 | FT-0716739 | MFCD00060637 | 2,4-Dimethoxyphenol | 2,4-dimethoxy-phenol | EN300-1697226 | MB00503 | A846611 | Phenol, 2,4-dimethoxy- | AKOS015913750 | FS-3021 | DTXSID00343904 | D5629 | SY107662 | AM9927 | F0J

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

SCHEMBL595280 | FT-0716739 | MFCD00060637 | 2, 4-Dimethoxyphenol | 2, 4-dimethoxy-phenol | EN300-1697226 | MB00503 | A846611 | Phenol, 2, 4-dimethoxy- | AKOS015913750 | FS-3021 | DTXSID00343904 | D5629 | SY107662 | AM9927 | F0J

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488190545
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190545
• Canonical Smiles: COC1=CC(=C(C=C1)O)OC
• IUPAC Name: 2,4-dimethoxyphenol
• InChIKey: MNVMYTVDDOXZLS-UHFFFAOYSA-N
• INCHI: 1S/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,9H,1-2H3
• Isomeric SMILES: COC1=CC(=C(C=C1)O)OC
• Molecular Weight: 154.16
• Reaxy-Rn: 1945133
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1945133&ln=

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: Dimethoxybenzenes 4-alkoxyphenols Phenoxy compounds Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - 4-alkoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organooxygen compound - 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: 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

• Sensitivity: Air Sensitive
• Flash Point(°C): 116 °C
• Boil Point(°C): 129 °C/10 mmHg
• Melt Point(°C): 28 °C
• Molecular Weight: 154.160 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.063 Da
• Monoisotopic Mass: 154.063 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• 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

References

1. Jianqiao Xu, Junyan Wei, Jiayu Zhang, Zhicheng Xing, Zunyao Wang, Ruijuan Qu.  (2024)  Effect of Dissolved Organic Matter on the Photodegradation of Decachlorobiphenyl (PCB-209) in Heterogeneous Systems: Experimental Analysis and Excited-State Theory Calculations.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:39088507] [10.1021/acs.est.4c02816]