2，6-dimethoxy-4-hydroxybenzaldehyde - ≥95% , CAS No.22080-96-2

CAS: 22080-96-2 Cat. No.: D135367 Formula: HOC₆H₂(OCH₃)₂CHO Molecular Weight: 182.17 EC Number: 624-897-9

GRADE & PURITY ≥95%

Synonyms

SCHEMBL283354 | 10.14272/HZWPJAZIRZFCGX-UHFFFAOYSA-N.1 | PS-3331 | SY030046 | 2,6-Dimethoxy-4-hydroxybenzaldehyde, 95% | A815905 | AM83003 | MFCD01407645 | 2,6-Dimethoxy-4-hydroxybenzaldehyde;4-hydroxy-2,6-dimethoxy-benzaldehyde | BCP18466 | AC-4471 | DTX

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

hydroxybenzaldehyde derivative. Its synthesis by Vielsmeyer-Haack reaction and confirmation of the product formation by 1H NMR has been reported. Its structure has been investigated.The sodium salt of 4-hydroxy-2,6-dimethoxybenzaldehyde may be used to derivatize Merrifield resin to form resin-bound aldehyde.
2,6-Dimethoxy-4-hydroxybenzaldehyde (4-hydroxy-2,6-dimethoxybenzaldehyde) may be used as a test compound to investigate the bactericidal activity of benzaldehydes against Campylobacter jejuni, Escherichia coli, Listeria monocytogenes and Salmonella enterica.

Specifications

Synonyms

SCHEMBL283354 | 10.14272/HZWPJAZIRZFCGX-UHFFFAOYSA-N.1 | PS-3331 | SY030046 | 2,6-Dimethoxy-4-hydroxybenzaldehyde, 95% | A815905 | AM83003 | MFCD01407645 | 2,6-Dimethoxy-4-hydroxybenzaldehyde;4-hydroxy-2,6-dimethoxy-benzaldehyde | BCP18466 | AC-4471 | DTX

Specifications & Purity

≥95%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488190166
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190166
• Canonical Smiles: COC1=CC(=CC(=C1C=O)OC)O
• IUPAC Name: 4-hydroxy-2,6-dimethoxybenzaldehyde
• InChIKey: HZWPJAZIRZFCGX-UHFFFAOYSA-N
• INCHI: 1S/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H3
• Isomeric SMILES: COC1=CC(=CC(=C1C=O)OC)O
• WGK Germany: 3
• Molecular Weight: 182.17
• Reaxy-Rn: 2578122
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2578122&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 Hydroxybenzaldehydes Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Hydroxybenzaldehyde - Anisole - Benzaldehyde - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aryl-aldehyde - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ether - Organooxygen compound - Aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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

• Solubility: Soluble in Methanol
• Sensitivity: air sensitive
• Melt Point(°C): 220 °C(dec.)
• Molecular Weight: 182.170 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 157.000
• 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