3-Ethoxy-1-propanol

Base Information

• Chemical Name: 3-Ethoxy-1-propanol
• CAS No.: 111-35-3
• Molecular Formula: C5H12O2
• Molecular Weight: 104.149
• Hs Code.: 2909499000
• European Community (EC) Number: 203-861-2
• NSC Number: 78799
• UN Number: 1993
• UNII: 28V3RKF4Z1
• DSSTox Substance ID: DTXSID4073124
• Nikkaji Number: J35.196B
• Wikidata: Q26841034
• Mol file: 111-35-3.mol

Synonyms:3-Ethoxy-1-propanol;3-ethoxypropan-1-ol;111-35-3;1-Propanol, 3-ethoxy-;Dowanol PEAT;3-ethoxypropanol;3-Ethoxypropane-1-ol;Propylene glycol 3-ethyl ether;Propylene glycol beta-monoethyl ether;3-Ethoxyl-1-propanol;ETHOXY PROPANOL;EINECS 203-861-2;NSC 78799;3-Ethoxy-2-propyl alcohol;BRN 1732292;AI3-18446;28V3RKF4Z1;MFCD00002948;NSC-78799;Propylene glycol .beta.-monoethyl ether;Propylene glycol monoethyl ether, .beta.;Propanol, 3-ethoxy;3-Etoxipropanol;3-etoxi-1-propanol;1-Propanol, 3-etoxi;3-ethoxy-propan-1-ol;3-?Ethoxy-?1-?propanol;SCHEMBL4864;UNII-28V3RKF4Z1;WLN: Q3O2;3-Ethoxy-1-propanol, 97%;DTXSID4073124;1,3-Propanediol monoethyl ether;CHEBI:87489;NSC78799;BBL102752;STL556558;AKOS005292552;LS-122288;AM20080058;FT-0631623;EN300-80489;D95933;J-002564;Q26841034;Z1080358490

Chemical Property of 3-Ethoxy-1-propanol

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.0105mmHg at 25°C
• Melting Point: -90°C (estimate)
• Refractive Index: n20/D 1.417(lit.)
• Boiling Point: 160.499 °C at 760 mmHg
• PKA: 14.90±0.10(Predicted)
• Flash Point: 54.444 °C
• PSA: 29.46000
• Density: 0.906 g/cm³
• LogP: 0.40530
• Water Solubility.: >=10 g/100 mL at 18 º
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 104.083729621
• Heavy Atom Count: 7
• Complexity: 29.3
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

3-?Ethoxy-?1-?propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20/21/22-36
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOCCCO

Technology Process of 3-Ethoxy-1-propanol

There total 21 articles about 3-Ethoxy-1-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: 98.0%

3-ethoxypropanal (2806-85-1) → 3-ethoxy-1-propanol (111-35-3)

Guidance literature:

With hydrogen; nickel(II) oxide; chromium(III) oxide; at 95 - 100 ℃; under 22800 - 27360 Torr;

Reference yield: 21.0%

ethanol (64-17-5) + allyl alcohol (107-18-6) → 3-ethoxy-1-propanol (111-35-3)

Guidance literature:

With C₅₇H₆₃N₄OP₂Ru⁽¹⁺⁾*Cl^(1-); potassium tert-butylate; at 70 ℃; for 22h; Inert atmosphere;

DOI:10.1246/cl.171104

Reference yield:

diethoxyltriphenylphosphorane (86852-11-1,18509-25-6) + trimethyleneglycol (504-63-2) → trimethylene oxide (503-30-0) + 3-ethoxy-1-propanol (111-35-3)

Guidance literature:

In dichloromethane; at 45 ℃; Yield given. Yields of byproduct given;

DOI:10.1021/ja00304a030

upstream raw materials:

trimethylene oxide

ethanol

3-ethoxypropanal

ethyl 3-ethoxypropionate

Downstream raw materials:

toluene-4-sulfonic acid 3-ethoxy-propyl ester

1,3-dibromo-propane

1-bromo-3-ethoxypropane

1-bromo-4-[3-(ethoxy)propoxy]benzene

Refernces

• 1、 Slaugh. "". . p. 2734,2737. Retrieved 1961.
• 2、 Brown et al.. "". . p. 1801. Retrieved 1964.
• 3、 Nakamura, Yushi,Ohta, Tetsuo,Oe, Yohei. "A formal anti-Markovnikov hydroalkoxylation of allylic alcohols with a ruthenium catalyst". supporting information. p. 288 - 291. Retrieved 2018/02/14.
• 4、 Agresta, Mandy,D'Arrigo, Paola,Fasoli, Ezio,Losi, Daniele,Pedrocchi-Fantoni, Giuseppe,Riva, Simona,Servi, Stefano,Tessaro, Davide. "Synthesis and antiproliferative activity of alkylphosphocholines". . p. 201 - 210. Retrieved 2007/10/03.