4-Ethoxybutan-1-ol

Base Information

• Chemical Name: 4-Ethoxybutan-1-ol
• CAS No.: 111-73-9
• Molecular Formula: C6H14 O2
• Molecular Weight: 118.176
• Hs Code.: 2909499000
• European Community (EC) Number: 203-901-9
• NSC Number: 221255
• UNII: KF8FNI35PO
• DSSTox Substance ID: DTXSID10149439
• Nikkaji Number: J49.694D
• Wikidata: Q83015214
• Mol file: 111-73-9.mol

Synonyms:4-Ethoxybutan-1-ol;111-73-9;4-Ethoxy-1-butanol;Dowanol BEAT;1-BUTANOL, 4-ETHOXY-;Butylene glycol monoethyl ether;Dowanol be;Butylene glycol ethyl ether;4-ethoxybutanol;Dowanal BEAT;Butanediol, monoethyl ether;EINECS 203-901-9;KF8FNI35PO;NSC 221255;BRN 1732976;NSC-221255;C(CCO)COCC;UNII-KF8FNI35PO;Butanediol, monoethyl ester;WLN: Q4O2;SCHEMBL107912;DTXSID10149439;NSC221255;AKOS008152676;LS-46538;EN300-85576;Z993012560

Chemical Property of 4-Ethoxybutan-1-ol

Chemical Property:

• Vapor Pressure: 0.224mmHg at 25°C
• Boiling Point: 183.2°Cat760mmHg
• PKA: 15.08±0.10(Predicted)
• Flash Point: 56.9°C
• PSA: 29.46000
• Density: 0.899g/cm³
• LogP: 0.79540
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 37.5

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Ethoxybutan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCCCCO

Technology Process of 4-Ethoxybutan-1-ol

There total 13 articles about 4-Ethoxybutan-1-ol 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: 61.0%

4-ethoxy-butyric acid methyl ester (29006-04-0) → 4-ethoxybutan-1-ol (111-73-9)

Guidance literature:

With sodium tetrahydroborate; sodium; In methanol; for 6h; Heating / reflux;

Reference yield:

3-ethoxyprop-1-ene (557-31-3) + carbon monoxide (201230-82-2) → ethanol (64-17-5) + 2-methyl-propan-1-ol (78-83-1) + 4-ethoxybutan-1-ol (111-73-9)

Guidance literature:

With dirhodium tetraacetate; hydrogen; triethylphosphine; In ethanol; at 120 ℃; for 4h; under 30400 Torr; Product distribution; hydrocarbonylation;

DOI:10.1039/dt9960001793

Reference yield:

2-methyl-[1,3]dioxepane (4469-25-4) → tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + ethanol (64-17-5) + 4-ethoxybutan-1-ol (111-73-9) + 1,4-diethoxybutane (13344-00-8) + acetic acid butyl ester (123-86-4) + butan-1-ol (71-36-3)

Guidance literature:

With hydrogen; Pd-Cab-O-Sil; at 300 ℃; Product distribution; Mechanism; var. of catalyst, temp.;

DOI:10.1039/c39810000106

upstream raw materials:

tetrahydrofuran

ethanol

4-ethoxy-butyric acid ethyl ester

3-bromo-2-ethoxy-tetrahydro-furan

Downstream raw materials:

butylene glycol monoethyl ether acetate

1-(4-ethoxy-butyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester

6-Ethoxy-2-methyl-hexanol-(2)

6-Ethoxycapronsaeure

Refernces

• 1、 -. "2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS". Page/Page column 12. . Retrieved 2010/02/11.
• 2、 Simpson, Michael C.,Currie, Alan W. S.,Andersen, Jo-Ann M.,Cole-Hamilton, David J.,Green, Michael J.. "Hydrocarbonylation of prop-2-en-1-ol to butane-1,4-diol and 2-methylpropan-1-ol catalysed by rhodium triethylphosphine complexes". . p. 1793 - 1800. Retrieved 2007/10/03.