tert-Amyl methyl ether

Base Information

• Chemical Name: tert-Amyl methyl ether
• CAS No.: 994-05-8
• Molecular Formula: C6H14 O
• Molecular Weight: 102.177
• Hs Code.: 2909199090
• European Community (EC) Number: 213-611-4
• ICSC Number: 1496
• UN Number: 3271
• UNII: 94525J1AP8
• DSSTox Substance ID: DTXSID8024521
• Nikkaji Number: J125.007H
• Wikipedia: Tert-Amyl_methyl_ether
• Wikidata: Q4346419
• ChEMBL ID: CHEMBL1359297
• Mol file: 994-05-8.mol

Synonyms:2-methoxy-2-methylbutane;methyl tert-amyl ether;TAME ether;tert-amyl methyl ether;tert-pentyl methyl ether;tertiary-amyl methyl ether

Chemical Property of tert-Amyl methyl ether

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 75mmHg at 25°C
• Melting Point: -105.78°C (estimate)
• Refractive Index: n20/D 1.389(lit.)
• Boiling Point: 86.3°Cat760mmHg
• Flash Point: °C
• PSA: 9.23000
• Density: 0.762g/cm³
• LogP: 1.82140
• Storage Temp.: Flammables area
• Water Solubility.: 12.35g/L(20 oC)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 102.104465066
• Heavy Atom Count: 7
• Complexity: 48.1

Purity/Quality:

99% ^*data from raw suppliers

tert-Amyl methyl ether 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,T
• Hazard Codes: F,Xn,T
• Statements: 11-22-38-41-39/23/24/25-23/24/25-67
• Safety Statements: 16-26-39-45-36/37-33-23-9-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Ethers (
• Canonical SMILES: CCC(C)(C)OC
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. Exposure at high levels could cause lowering of consciousness.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.
• Uses: Fuel additive for gasoline. TAME has been used as a reference standard for the determination of the analyte in Catalonian groundwater and soil samples by purge-and-trap gas chromatography/mass spectrometry (P&T-GC/MS) and in aqueous solutions by solid-phase microextraction (SPME) combined with GC-MS. It may be used as a reference standard for the identification of the analyte in gasoline-contaminated groundwater by GC combined with various detectors/quantification methods such as photoionization detector (PID), flame ionization detector (FID), or MS.

Technology Process of tert-Amyl methyl ether

There total 20 articles about tert-Amyl methyl ether 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: 87.0%

tert-Amyl alcohol (75-85-4) + methyl iodide (74-88-4) → tert-Amyl methyl ether (994-05-8)

Guidance literature:

With sodium hydride; 1-n-butyl-2,3-dimethylimidazolium hexafluorophosphate; at 25 ℃; for 2h;

DOI:10.1080/00304940409355387

Reference yield: 71.37%

methanol (67-56-1) + tert-Amyl alcohol (75-85-4) → 2-methyl-but-2-ene (513-35-9) + tert-Amyl methyl ether (994-05-8) + 2-Methyl-1-butene (563-46-2)

Guidance literature:

With Amberlyst-36; In 1,4-dioxane; at 80 ℃; for 4h; Reagent/catalyst; Temperature; Kinetics; Mechanism; Autoclave;

DOI:10.1021/op010018+

Reference yield: 60.0%

2-(benzotriazol-1-yl)-2-methoxypropane (123622-12-8) → tert-Amyl methyl ether (994-05-8)

Guidance literature:

In diethyl ether; Heating;

DOI:10.1021/jo00287a011

upstream raw materials:

diazomethane

tert-Amyl alcohol

methanol

2-methyl-but-2-ene

Downstream raw materials:

4-allyl-2-tert-amylanisole

2-tert-amyl-5-n-pentadecylphenol

methanol

2-methyl-but-2-ene

Refernces

• 1、 -. "Tert-amyl methyl ether preparation method and light gasoline modification method". Paragraph 0152; 0153; 0154. . Retrieved 2018/06/14.
• 2、 -. "Multistage catalytic process for olefin etherification". Page/Page column 3. . Retrieved 2008/06/13.