1-Tert-butoxy-2-propanol

Base Information

• Chemical Name: 1-Tert-butoxy-2-propanol
• CAS No.: 57018-52-7
• Deprecated CAS: 136579-67-4
• Molecular Formula: C7H16O2
• Molecular Weight: 132.203
• European Community (EC) Number: 406-180-0,611-448-7
• ICSC Number: 1615
• UN Number: 1993
• UNII: 03077MV85B
• DSSTox Substance ID: DTXSID8025967
• Nikkaji Number: J910.408I
• Wikidata: Q2847602
• ChEMBL ID: CHEMBL1456695
• Mol file: 57018-52-7.mol

Synonyms:propylene glycol mono-t-butyl ether

Chemical Property of 1-Tert-butoxy-2-propanol

Chemical Property:

• Appearance/Colour: Clear colorless liquid with an ethereal odor.
• Vapor Pressure: 0.000356mmHg at 25°C
• Melting Point: -56°C(lit.)
• Refractive Index: n20/D 1.413(lit.)
• Boiling Point: 155.3 °C at 760 mmHg
• PKA: 14.51±0.20(Predicted)
• Flash Point: 49.7 °C
• PSA: 29.46000
• Density: 0.89g/cm³
• LogP: 1.18230
• Water Solubility.: Soluble in water
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 132.115029749
• Heavy Atom Count: 9
• Complexity: 73.5
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

1-(tert-Butoxy)-2-propanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Glycol Ethers (P Series)
• Canonical SMILES: CC(COC(C)(C)C)O
• 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: The substance is severely irritating to the eyes.
• Uses: 1-(1,1-Dimethylethoxy)-2-propanol is a useful reagent for organic synthesis.

Technology Process of 1-Tert-butoxy-2-propanol

There total 11 articles about 1-Tert-butoxy-2-propanol 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: 84.8%

propylene glycol (57-55-6,63625-56-9) + tert-butyl alcohol (75-65-0) → 1-tert-butoxy-2-propanol (57018-52-7)

Guidance literature:

With Amberlyst₁₅; In hexane; at 40 ℃; for 7h;

Reference yield: 72.3%

propylene glycol (57-55-6,63625-56-9) + isobutene (115-11-7,15220-85-6) → 1-tert-butoxy-2-propanol (57018-52-7)

Guidance literature:

With Amberlyst₁₅; In toluene; at 35 ℃; for 5h;

Reference yield:

ethanol (64-17-5) + isopropyl alcohol (67-63-0,8013-70-5) + methyloxirane (75-56-9,16033-71-9) + tert-butyl alcohol (75-65-0) → propylene glycol monoethyl ether (1569-02-4) + 1-isopropoxy-2-propanol (3944-36-3) + 1-tert-butoxy-2-propanol (57018-52-7)

Guidance literature:

Trimethyl borate; hydrogen fluoride; In water; for 0.5h;

upstream raw materials:

potassium tert-butylate

methyloxirane

tert-butyl alcohol

2-<2-(2-hydroxypropoxy)-ethyl>-4-methyl-1,3-dioxolane

Downstream raw materials:

(R)-2-O-acetyl-1-O-tert-butylpropane-1,2-diol

(S)-1-tert-butoxy-2-propanol

C₁₆H₂₄O₂

9-phenyl-9H-xanthene

Refernces

• 1、 -. "METHOD FOR PRODUCING 1-ALKOXY-2-ALKANOL COMPOUND". Paragraph 0026. . Retrieved 2017/03/24.
• 2、 -. "PROCESS FOR PREPARING AN ALKOXYLATED ALCOHOL OR PHENOL". Page/Page column 19. . Retrieved 2008/06/13.