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

CAS: 58539-27-8 Cat. No.: M479215 Summenformel: C₁₀H₁₄O₂ Molekulargewicht: 166.22 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: CCCC1=CC(=C(C=C1)OC)O
• Molekulargewicht: 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
    • Klasse Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Schmelzpunkt (°C): 21-22℃
• Molekulargewicht: 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

Referenzen

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]