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

CAS: 492-88-6 Cat. No.: E136337 Formule: C₉H₁₀O₃ Poids moléculaire: 166.18 Beilstein Registry Number: 8(2)267 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504754254
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754254
• Sourires canoniques: 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
• Isomères SMILES: CCOC1=CC=CC(=C1O)C=O
• WGK Allemagne: 3
• RTECS: CU6123000
• Poids moléculaire: 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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in cold water. Insoluble in methanol, ethanol, acetone and acetonitrile
• Sensibilité: Air sensitive.
• Point d'ébullition (°C): 263-264 °C
• Point de fusion (°C): 63-67°C
• Poids moléculaire: 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

Références

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]