4-Propoxybenzaldehyde - ≥97%(GC) , CAS No.5736-85-6

CAS: 5736-85-6 Cat. No.: P160153 Formule: C₁₀H₁₂O₂ Poids moléculaire: 164.2 Numéro CE: 611-515-0 PubChem CID: 79812

GRADE & PURITY ≥97%(GC)

Synonyms

Coumarin, 3-(2-benzimidazolyl)-7-(diethylamino)- | BBL027802 | Propoxybenzaldehyde | 1,4-Propoxybenzaldehyde | Benzaldehyde, p-propoxy- | 4-n-Propoxybenzaldehyde | NSC32509 | NSC-32509 | 4-Propyloxybenzaldehyde | p-Propoxybenzaldehyde | 4-Propoxybenzaldeh

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

General description：

Kinetic constants for the inhibition of the diphenolase activity of mushroom tyrosinase by 4-propoxybenzaldehyde was evaluated. 

application：

4-Propoxybenzaldehyde was used in the preparation of (2S,4S,5R)-(±)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine via condensation with 1-ephedrine.

Specifications

Synonymes

Coumarin, 3-(2-benzimidazolyl)-7-(diethylamino)- | BBL027802 | Propoxybenzaldehyde | 1,4-Propoxybenzaldehyde | Benzaldehyde, p-propoxy- | 4-n-Propoxybenzaldehyde | NSC32509 | NSC-32509 | 4-Propyloxybenzaldehyde | p-Propoxybenzaldehyde | 4-Propoxybenzaldeh

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%(GC)

Noms et identifiants

• Pubchem Sid: 488185779
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185779
• Sourires canoniques: CCCOC1=CC=C(C=C1)C=O
• IUPAC Name: 4-propoxybenzaldehyde
• InChIKey: FGXZWMCBNMMYPL-UHFFFAOYSA-N
• INCHI: 1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3
• Isomères SMILES: CCCOC1=CC=C(C=C1)C=O
• WGK Allemagne: 3
• RTECS: CU7700000
• PubChem CID: 79812
• Poids moléculaire: 164.2
• Reaxy-Rn: 743408

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Sensibilité: Air Sensitive
• Indice de réfraction: 1.55
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 112 °C/5 mmHg
• Poids moléculaire: 164.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.084 Da
• Monoisotopic Mass: 164.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 126.000
• 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