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

CAS: 22080-96-2 Cat. No.: D135367 Fórmula: HOC₆H₂(OCH₃)₂CHO Peso molecular: 182.17 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488190166
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190166
• Sonrisas canónicas: 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
• Isómeros SMILES: COC1=CC(=CC(=C1C=O)OC)O
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: air sensitive
• Punto de fusión (°C): 220 °C(dec.)
• Peso molecular: 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