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

CAS: 2785-89-9 Cat. No.: E111257 Formula: C₉H₁₂O₂ Peso molecolare: 152.19 Numero EC: 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

Argon charged,Room temperature

Shipped In

Normale

Specifications

Sinonimi

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

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488183580
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183580
• Sorrisi canonici: 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
• Isomeri SMILES: CCC1=CC(=C(C=C1)O)OC
• WGK Germania: 2
• Peso molecolare: 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
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water
• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.53
• Punto di infiammabilità (°F): 225°F
• Punto di infiammabilità (°C): 108°C
• Punto di ebollizione (°C): 235°C
• Punto di fusione (°C): 15 °C
• Peso molecolare: 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

Riferimenti

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