3-ETHYL-3-OXETANEMETHANOL

Base Information

• Chemical Name: 3-ETHYL-3-OXETANEMETHANOL
• CAS No.: 3047-32-3
• Deprecated CAS: 346425-95-4,473440-85-6,473440-85-6
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16
• Hs Code.: 29329990
• European Community (EC) Number: 221-254-0
• UNII: 622325VBYO
• DSSTox Substance ID: DTXSID8062812
• Nikkaji Number: J27.218C
• Wikidata: Q27263428
• Mol file: 3047-32-3.mol

Synonyms:(3-Ethyloxetan-3-yl)methanol;3-Ethyl-3-(hydroxymethyl)oxacyclobutane;3-Ethyl-3-(hydroxymethyl)oxetane;3-Ethyl-3-methyloloxetane;3-Hydroxymethyl-3-ethyloxetane;Aron Oxetane OXT 101;Cyracure UVR 6000;EOXA;Eternacoll EHO;OXA (oxetane);OXT 101;UVR 6000;

Chemical Property of 3-ETHYL-3-OXETANEMETHANOL

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.0689mmHg at 25°C
• Refractive Index: n20/D 1.453(lit.)
• Boiling Point: 203 °C at 760 mmHg
• PKA: 14.58±0.10(Predicted)
• Flash Point: 86.5 °C
• PSA: 29.46000
• Density: 0.996 g/cm³
• LogP: 0.40530
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Miscible in water.
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 76.6

Purity/Quality:

98%, ^*data from raw suppliers

3-Ethyl-3-oxetanemethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1(COC1)CO
• Uses: 3-Ethyl-3-oxetanemethanol is used as pharmaceutical intermediate.

Technology Process of 3-ETHYL-3-OXETANEMETHANOL

There total 10 articles about 3-ETHYL-3-OXETANEMETHANOL 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: 72.0%

1,1,1-tri(hydroxymethyl)propane (77-99-6) → 3-ethyl-3-(hydroxymethyl)oxetane (3047-32-3)

Guidance literature:

With potassium carbonate; Diethyl carbonate; at 110 ℃;

DOI:10.1016/j.polymer.2011.10.027

Reference yield:

→ trimethylene oxide (503-30-0) + 3-ethyl-3-(hydroxymethyl)oxetane (3047-32-3)

Guidance literature:

Reference yield:

1,1,1-tri(hydroxymethyl)propane (77-99-6) → 3-ethyl-3-(hydroxymethyl)oxetane (3047-32-3) + 3,9-diethyl-3,9-dihydroxymethyl-1,5,7,11-tetraoxaspiro[5,5]undecane (65282-19-1) + 3,3,7,7-tetra(hydroxymethyl)-5-oxanonane (23235-61-2)

Guidance literature:

1,1,1-tri(hydroxymethyl)propane; With urea; In water; at 100 - 150 ℃; under 300 - 600 Torr; Alkaline conditions; Large scale;

In water; at 100 - 195 ℃; under 45 Torr; Pyrolysis; Large scale;

DOI:10.1021/op010037j

upstream raw materials:

1,1,1-tri(hydroxymethyl)propane

Diethyl carbonate

carbonic acid dimethyl ester

trimethylene oxide

Downstream raw materials:

C₁₉H₂₀O₄

C₂₆H₄₀N₂O₆

1,4-benzenedicarboxylic acid-bis[(3-ethyl-3-oxetanyl)methyl]ester

C₁₅H₂₀O₂

Refernces

• 1、 -. "LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE". Paragraph 0036; 0037. . Retrieved 2016/10/07.
• 2、 Darensbourg, Donald J.,Horn Jr., Adolfo,Moncada, Adriana I.. "A facile catalytic synthesis of trimethylene carbonate from trimethylene oxide and carbon dioxide". experimental part. p. 1376 - 1379. Retrieved 2010/10/03.