2-Methoxy-5-propyl-phenol - ≥95% , CAS No.58539-27-8

CAS: 58539-27-8 Cat. No.: M479215 Formule: C₁₀H₁₄O₂ Poids moléculaire: 166.22 Numéro CE: 877-409-3

GRADE & PURITY ≥95%

Synonyms

AKOS006242589 | 2-methoxy-5-propylphenol | 2-METHOXY-5-PROPYL-PHENOL | 2-methoxy-5-propyl-phenol, AldrichCPR | DTXSID20974097 | 4-n-propylguaiacol | STL371292 | VS-08910 | SCHEMBL901444 | TZUORCZPIKYDQG-UHFFFAOYSA-N | Z87001810 | EN300-179309 | Dihydrocha

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

AKOS006242589 | 2-methoxy-5-propylphenol | 2-METHOXY-5-PROPYL-PHENOL | 2-methoxy-5-propyl-phenol, AldrichCPR | DTXSID20974097 | 4-n-propylguaiacol | STL371292 | VS-08910 | SCHEMBL901444 | TZUORCZPIKYDQG-UHFFFAOYSA-N | Z87001810 | EN300-179309 | Dihydrocha

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CCCC1=CC(=C(C=C1)OC)O
• IUPAC Name: 2-methoxy-5-propylphenol
• InChIKey: TZUORCZPIKYDQG-UHFFFAOYSA-N
• INCHI: 1S/C10H14O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h5-7,11H,3-4H2,1-2H3
• Isomères SMILES: CCCC1=CC(=C(C=C1)OC)O
• Poids moléculaire: 166.22
• Reaxy-Rn: 2087412
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2087412&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenylpropanes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenylpropane - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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

Propriétés chimiques et physiques

• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Point de fusion (°C): 21-22℃
• Poids moléculaire: 166.220 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099 Da
• Monoisotopic Mass: 166.099 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 125.000
• 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. Xiaohua Li, Zhitao Lei, Yu Cao, Shanshan Shao, Shiliang Wu.  (2025)  Aqueous-phase hydrogenation of various lignin-derived phenols to cycloketones as platform compounds over Br modified metal-acid mixed catalyst.  ENERGY,      [PMID:] [10.1016/j.energy.2025.135025]