4-Ethylguaiacol - ≥99% , CAS No.2785-89-9

CAS: 2785-89-9 Cat. No.: E111257 Summenformel: C₉H₁₂O₂ Molekulargewicht: 152.19 EG-Nummer: 220-500-4

GRADE & PURITY ≥99%

Synonyms

PHENOL, 4-ETHYL-2-METHOXY- | 4-Ethyl guiacol | AC-15463 | D90493 | 4-Ethyl-2-methoxyphenol (4-ethylguaiacol) | 4-Ethyl-2-metoxy phenol | Ethylguiacol (4-ethyl-2-methoxyphenol) | BCP19091 | FT-0618412 | 2-PHENYL-PYRAZOLO[1,5-A]PYRIMIDIN-5-OL | EINECS 220-5

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

PHENOL, 4-ETHYL-2-METHOXY- | 4-Ethyl guiacol | AC-15463 | D90493 | 4-Ethyl-2-methoxyphenol (4-ethylguaiacol) | 4-Ethyl-2-metoxy phenol | Ethylguiacol (4-ethyl-2-methoxyphenol) | BCP19091 | FT-0618412 | 2-PHENYL-PYRAZOLO[1,5-A]PYRIMIDIN-5-OL | EINECS 220-5

Spezifikationen & Reinheit

≥99%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 488183580
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183580
• Kanonisches Lächeln: CCC1=CC(=C(C=C1)O)OC
• IUPAC Name: 4-ethyl-2-methoxyphenol
• InChIKey: CHWNEIVBYREQRF-UHFFFAOYSA-N
• INCHI: 1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
• Isomere SMILES: CCC1=CC(=C(C=C1)O)OC
• WGK Deutschland: 2
• Molekulargewicht: 152.19
• Reaxy-Rn: 2045329
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045329&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: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 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: an aromatic compound

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water
• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.53
• Flammpunkt (°F): 225°F
• Flammpunkt (°C): 108°C
• Siedepunkt (°C): 235°C
• Schmelzpunkt (°C): 15 °C
• Molekulargewicht: 152.190 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 114.000
• 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

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