1-Phenyl-2-propoxyethanol

Base Information

• Chemical Name: 1-Phenyl-2-propoxyethanol
• CAS No.: 4249-43-8
• Molecular Formula: C11H16O2
• Molecular Weight: 180.2435
• Hs Code.: 2909499000
• NSC Number: 57404
• DSSTox Substance ID: DTXSID80288728
• Nikkaji Number: J3.489.725E
• Mol file: 4249-43-8.mol

Synonyms:1-phenyl-2-propoxyethanol;4249-43-8;1-PHENYL-2-PROPOXY-ETHANOL;NSC57404;SCHEMBL10511898;DTXSID80288728;NSC-57404;AKOS011070438

Chemical Property of 1-Phenyl-2-propoxyethanol

Chemical Property:

• Vapor Pressure: 0.00194mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 279.3 °C at 760 mmHg
• Flash Point: 113 °C
• PSA: 29.46000
• Density: 1.021 g/cm³
• LogP: 2.14660
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOCC(C1=CC=CC=C1)O

Technology Process of 1-Phenyl-2-propoxyethanol

There total 3 articles about 1-Phenyl-2-propoxyethanol 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: 28.0%

C11H16O3 → α-(n-propoxymethyl)benzenemethanol (4249-43-8)

Guidance literature:

With triphenylphosphine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1002/asia.201701742

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → α-(n-propoxymethyl)benzenemethanol (4249-43-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 9-(2-mesityl)-10-methylacridinium perchlorate; oxygen; magnesium oxide / ethyl acetate / 10 h / 20 °C / Irradiation; Green chemistry

2: triphenylphosphine / dichloromethane / 2 h / 20 °C

With oxygen; magnesium oxide; triphenylphosphine; 9-(2-mesityl)-10-methylacridinium perchlorate; In dichloromethane; ethyl acetate;

DOI:10.1002/asia.201701742

Reference yield:

→ α-(n-propoxymethyl)benzenemethanol (4249-43-8)

Guidance literature:

Phenylaethylenoxyd, BF3*(C2H5)2O, Propyl-alkohol;

upstream raw materials:

styrene

Refernces