3-Ethoxysalicylaldehyde - ≥97% , CAS No.492-88-6

CAS: 492-88-6 Cat. No.: E136337 Fórmula: C₉H₁₀O₃ Peso molecular: 166.18 Beilstein Registry Number: 8(2)267 Número EC: 207-765-1

GRADE & PURITY ≥97%

Synonyms

NSC 133446 | A827693 | F2190-0623 | O-Ethylvanillin | 3-Ethoxysalicylaldehyde | EINECS 207-765-1 | 5-ETHOXY-6-HYDROXYBENZALDEHYDE | BRN 2048368 | E0253 | EN300-21509 | DTXSID3060083 | ETHYLVANILLIN, O- | FT-0615640 | 4-08-00-01748 (Beilstein Handbook Refe

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Usually used in the preparation of:schiff base ligand via condensation with trans-1,2-diaminocyclohexane;substituted salen-type Schiff base ligands;a new Schiff base, 2-ethoxy-6-[(3-methylaminopropylimino)methyl]phenol, via reaction with N-methylpropane-1,3-diamine.

Specifications

Sinónimos

NSC 133446 | A827693 | F2190-0623 | O-Ethylvanillin | 3-Ethoxysalicylaldehyde | EINECS 207-765-1 | 5-ETHOXY-6-HYDROXYBENZALDEHYDE | BRN 2048368 | E0253 | EN300-21509 | DTXSID3060083 | ETHYLVANILLIN, O- | FT-0615640 | 4-08-00-01748 (Beilstein Handbook Refe

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504754254
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754254
• Sonrisas canónicas: CCOC1=CC=CC(=C1O)C=O
• IUPAC Name: 3-ethoxy-2-hydroxybenzaldehyde
• InChIKey: OFQBYHLLIJGMNP-UHFFFAOYSA-N
• INCHI: 1S/C9H10O3/c1-2-12-8-5-3-4-7(6-10)9(8)11/h3-6,11H,2H2,1H3
• Isómeros SMILES: CCOC1=CC=CC(=C1O)C=O
• WGK Alemania: 3
• RTECS: CU6123000
• Peso molecular: 166.18
• Beilstein: 8(2)267
• Reaxy-Rn: 2048368
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048368&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Phenoxy compound - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• 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 cold water. Insoluble in methanol, ethanol, acetone and acetonitrile
• Sensibilidad: Air sensitive.
• Punto de ebullición (°C): 263-264 °C
• Punto de fusión (°C): 63-67°C
• Peso molecular: 166.170 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• 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

Referencias

1. Ling-jun Zhu, Lian-shuai Gu, Tian-yi Shi, Xiang-yang Zhang, Bai-Wang Sun.  (2018)  Enhanced treatment effect of nanoparticles containing cisplatin and a GSH-reactive probe compound.  Materials Science & Engineering C-Materials for Biological Applications,      [PMID:30606575] [10.1016/j.msec.2018.11.039]