1-Ethoxy-3-methylbenzene

Base Information

• Chemical Name: 1-Ethoxy-3-methylbenzene
• CAS No.: 621-32-9
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• European Community (EC) Number: 210-679-7
• NSC Number: 6258
• UNII: JZ7GFC4MN9
• DSSTox Substance ID: DTXSID4060733
• Nikkaji Number: J30.192B
• Wikidata: Q63399789
• Mol file: 621-32-9.mol

Synonyms:1-Ethoxy-3-methylbenzene;3-Ethoxytoluene;621-32-9;m-Ethoxytoluene;m-Methylphenetole;Ethyl m-tolyl ether;Phenetole, m-methyl-;3-Methylphenetole;Benzene, 1-ethoxy-3-methyl-;m-Methyl phenetole;Benzene, 1-ethoxy-3-methyl;JZ7GFC4MN9;1-ethoxy-3-methyl-benzene;NSC 6258;NSC-6258;EINECS 210-679-7;AI3-24476;methoxytoluene;NSC6258;UNII-JZ7GFC4MN9;META-METHYLPHENETOLE;M-CRESOL ETHYL ETHER;SCHEMBL129831;DTXSID4060733;AKOS006228745;FS-5722;FT-0693486;EN300-91992;A833598;Q63399789

Chemical Property of 1-Ethoxy-3-methylbenzene

Chemical Property:

• Vapor Pressure: 0.642mmHg at 25°C
• Refractive Index: 1.5130
• Boiling Point: 193.6°C at 760 mmHg
• Flash Point: 70.5°C
• PSA: 9.23000
• Density: 0.931g/cm³
• LogP: 2.39370
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

98%min ^*data from raw suppliers

META-METHYL PHENETOLE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC(=C1)C

Technology Process of 1-Ethoxy-3-methylbenzene

There total 21 articles about 1-Ethoxy-3-methylbenzene 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: 92.0%

3-methylcyclohexen-2-one (1193-18-6) + ethanol (64-17-5) → 3-ethoxytoluene (621-32-9)

Guidance literature:

With iodine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; at 80 ℃; for 6h; Sealed tube;

DOI:10.1016/j.tet.2021.132219

Reference yield: 90.0%

boron trifluoride diethyl etherate (109-63-7) + 3-methyl-phenol (108-39-4) → 3-ethoxytoluene (621-32-9)

Guidance literature:

at 120 ℃; for 4h; Reflux;

DOI:10.3390/molecules24203720

Reference yield: 88.0%

diethyl sulfate (64-67-5) + 3-methyl-phenol (108-39-4) → 3-ethoxytoluene (621-32-9)

Guidance literature:

With potassium carbonate; at 60 ℃; for 4.5h;

DOI:10.1080/00397910701316268

upstream raw materials:

diethyl sulfate

sodium 3-methylphenoxide

ethanol

O,O-diethyl benzylphosphonate

Downstream raw materials:

(3-methylphenoxy)trimethylsilane

2,3,4,6-tetrabromo-5-methyl-phenol

C₁₈H₁₆BrClO₄

4-ethoxy-2-methyl-benzaldehyde

Refernces

• 1、 Jumbam, Ndze Denis,Maganga, Yamkela,Masamba, Wayiza,Mbunye, Nomthandazo I.,Mgoqi, Esethu,Mtwa, Sphumusa. "A new alkylation of aryl alcohols by boron trifluoride etherate". . . Retrieved 2019/10/28.
• 2、 Sudo, Yukinori,Arai, Shigeru,Nishida, Atsushi. "Facile and regioselective dealkylation of alkyl aryl ethers using niobium(V) pentachloride". . p. 752 - 758. Retrieved 2007/10/03.