(2-Methoxyethyl)benzene

Base Information

• Chemical Name: (2-Methoxyethyl)benzene
• CAS No.: 3558-60-9
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 29093090
• European Community (EC) Number: 222-619-7
• NSC Number: 81229
• UNII: 79089Z2R3S
• DSSTox Substance ID: DTXSID1052032
• Nikkaji Number: J75.050F
• Wikidata: Q27266701
• Metabolomics Workbench ID: 45660
• ChEMBL ID: CHEMBL4528537
• Mol file: 3558-60-9.mol

Synonyms:(2-Methoxyethyl)benzene;3558-60-9;2-methoxyethylbenzene;Methyl phenethyl ether;2-Phenylethyl methyl ether;Benzene, (2-methoxyethyl)-;Phenylethyl methyl ether;Methyl phenylethyl ether;Kewda ether;Methyl phenethyl oxide;ETHER, METHYL PHENETHYL;Methyl 2-phenethyl ether;Kedwa ether;1-Methoxy-2-phenylethane;Phenethyl methyl ether;2-Phenethyl methyl ether;FEMA No. 3198;chrysanthemum oxide;NSC 81229;40356-59-0;EINECS 222-619-7;BRN 1857538;.beta.-Phenylethyl methyl ether;UNII-79089Z2R3S;NSC-81229;79089Z2R3S;EC 222-619-7;4-06-00-03069 (Beilstein Handbook Reference);methylphenethylether;Methylphenethyl ether;2-methoxy-ethyl-benzene;phenyl ethyl methyl ether;Methyl phenyl ethyl ether;(2-methoxyethyl)-Benzene;(2 - methoxyethyl)benzene;Benceno, (2-metoxietil)-;SCHEMBL58391;beta-Phenylethyl methyl ether;(2-Methoxyethyl)benzene, 9CI;SCHEMBL5733114;CHEMBL4528537;DTXSID1052032;FEMA 3198;NSC81229;MFCD00025912;METHYL PHENETHYL ETHER [FHFI];AKOS000121418;LS-2953;BS-22478;CS-0206194;FT-0690302;P1263;EN300-21206;Q27266701;Z104494216

Chemical Property of (2-Methoxyethyl)benzene

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 1.79mmHg at 25°C
• Refractive Index: 1.493
• Boiling Point: 172.3 °C at 760 mmHg
• Flash Point: 52.5 °C
• PSA: 9.23000
• Density: 0.938 g/cm³
• LogP: 1.87550
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 682mg/L at 25℃
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

99% ^*data from raw suppliers

PhenylethylMethylEther ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCC1=CC=CC=C1
• Description: Methyl phenethyl ether has a powerful diffusive and penetrating odor with a warm, floral note. It is "grassy" and pungent on dilution. May be prepared by catalytic reduction of phenylacetaldehyde dimethyl acetal; from phenylethyl alcohol and methanol.
• Uses: Phenylethyl methyl ether is a volatile compound that can be found in Litchi wine (and Litchi fruit) during winemaking. Phenylethyl methyl ether is also an additive to perfumes, detergents and soaps.

Technology Process of (2-Methoxyethyl)benzene

There total 53 articles about (2-Methoxyethyl)benzene 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: 95.0%

2-phenylethanol (60-12-8) + methyl trimethylamine phosphate (77891-02-2) → 1-methoxy-2-phenylethane (3558-60-9)

Guidance literature:

With potassium chloride; sodium sulfite; at 85 ℃; for 4h; Temperature;

Reference yield: 75.0%

methanol (67-56-1) + 1-phenyl-2-bromoethane (103-63-9) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1-methoxy-2-phenylethane (3558-60-9)

Guidance literature:

In methanol; at 95 ℃; for 0.0283333h; under 5475.4 Torr; Irradiation;

DOI:10.1021/jo00091a033

Reference yield: 67.0%

methanol (67-56-1) + 2-phenylethyl phenyl telluride (81609-30-5) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1-methoxy-2-phenylethane (3558-60-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; at 20 - 25 ℃; for 1h;

DOI:10.1016/S0040-4039(00)88338-0

upstream raw materials:

Dimethoxymethane

bromethyl methyl ether

2-phenylethanol

diethyl ether

Downstream raw materials:

2-phenylethyl chloride

acetic acid phenethyl ester

2-(4-nitrophenyl)ethyl methyl ether

1-(2-methoxyethyl)-3-nitrobenzene

Refernces

• 1、 Paul, Avishek,Smith, Mark D.,Vannucci, Aaron K.. "Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings". . p. 1996 - 2003. Retrieved 2017/02/26.
• 2、 -. "Synthetic method for medical intermediate methyl phenethyl ether of metoprolol". Paragraph 0015; 0016. . Retrieved 2017/03/28.