Phenol, 2-ethoxy-5-(1-propenyl)-

Base Information

• Chemical Name: Phenol, 2-ethoxy-5-(1-propenyl)-
• CAS No.: 94-86-0
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID2047727
• Wikidata: Q27281625
• ChEMBL ID: CHEMBL3561617
• Mol file: 94-86-0.mol

Synonyms:PHENOL, 2-ETHOXY-5-(1-PROPENYL)-;m-Anol, 6-ethoxy-;3-Propenyl-6-ethoxyphenol;EINECS 202-370-0;BRN 2259898;AI3-25000;4-06-00-06325 (Beilstein Handbook Reference);DTXSID2047727;Fenol, 2-etoxi-5-(1-propen-1-il)-;2 - ethoxy - 5 - prop - 1 - enylphenol;SCHEMBL111431;CHEMBL3561617;AKOS025243995;Phenol, 2-ethoxy-5-(1-propen-1-yl)-;FT-0612202;Q27281625

Chemical Property of Phenol, 2-ethoxy-5-(1-propenyl)-

Chemical Property:

• Appearance/Colour: White or colourless crystalline powder; vanilla-like aroma
• Vapor Pressure: 0.000281mmHg at 25°C
• Melting Point: 86-88 °C(lit.)
• Refractive Index: 1.567
• Boiling Point: 312.8 °C at 760 mmHg
• PKA: 10.02±0.10(Predicted)
• Flash Point: 165.2 °C
• PSA: 29.46000
• Density: 1.052 g/cm³
• LogP: 2.82400
• Storage Temp.: 2-8°C
• Water Solubility.: Insoluble in water
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

2-Ethoxy-5-(1-propenyl)phenol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)C=CC)O
• Uses: trans-2-Ethoxy-5-(1-propenyl)phenol was used in the synthesis of 2S-((E)-2-ethoxy-5-propenyl-phenoxy)-1-(3,4,5-trimethoxy-phenyl)-propane-1-one. Artificial vanilla flavoring, flavor enhancer.

Technology Process of Phenol, 2-ethoxy-5-(1-propenyl)-

There total 2 articles about Phenol, 2-ethoxy-5-(1-propenyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 2.0%

ethyl isoeugenol (7784-67-0) → 2-methoxy-4-propenylphenol (97-54-1) + 2-ethoxy-5-propenylphenol (94-86-0)

Guidance literature:

With sodium hydroxide; 18-crown-6 ether; In ethylene glycol; at 200 ℃; for 3h; Irradiation;

DOI:10.1016/S0040-4039(97)00366-3

Reference yield:

→ 2-ethoxy-5-propenylphenol (94-86-0)

Guidance literature:

Benzol III, NaOH;

Reference yield:

2-ethoxy-5-propenylphenol (94-86-0) → 4-ethoxy-3-hydroxybenzaldehyde (2539-53-9)

Guidance literature:

With chloroform; ozone; und Zersetzen des entstandenen Ozonids mit Kaliumferrocyanid;

upstream raw materials:

ethyl isoeugenol

Downstream raw materials:

4-ethoxy-3-hydroxybenzaldehyde

Refernces