Oxybisbutanol

Base Information

• Chemical Name: Oxybisbutanol
• CAS No.: 3403-82-5
• Molecular Formula: C8H18 O3
• Molecular Weight: 162.229
• Hs Code.: 2905199090
• European Community (EC) Number: 247-298-0,222-280-5
• DSSTox Substance ID: DTXSID30948749
• Nikkaji Number: J205.509K
• Wikidata: Q82926576
• Mol file: 3403-82-5.mol

Synonyms:4,4'-Oxybis(butan-1-ol);Oxybisbutanol;3403-82-5;4-(4-hydroxybutoxy)butan-1-ol;4,4'-Oxybisbutan-1-ol;25853-56-9;EINECS 222-280-5;EINECS 247-298-0;4,4'-Oxybis-1-butanol;4-(4-hydroxybutoxy)butanol;4,4'-Oxybis(1-butanol);SCHEMBL21634;4,4'-Oxydi(butan-1-ol);DTXSID30948749;MFCD19982829;AKOS015910151;BS-50568;CS-0158348;FT-0684499;E76488

Chemical Property of Oxybisbutanol

Chemical Property:

• Boiling Point: 274.5°Cat760mmHg
• PKA: 14.77±0.10(Predicted)
• Flash Point: 119.8°C
• PSA: 49.69000
• Density: 1.001g/cm³
• LogP: 0.54800
• Storage Temp.: Hygroscopic, Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 162.125594432
• Heavy Atom Count: 11
• Complexity: 58.4

Purity/Quality:

98%min ^*data from raw suppliers

4,4''-Oxybis(butan-1-ol) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCOCCCCO)CO

Technology Process of Oxybisbutanol

There total 10 articles about Oxybisbutanol 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: 100.0%

1,13-diphenyl-2,7,12-trioxatridecane → bis(4-hydroxybutyl)-ether (3403-82-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 30h;

DOI:10.1016/j.bmc.2009.04.016

Reference yield: 95.3%

4-[4-(benzyloxy)butoxy]butan-1-ol → bis(4-hydroxybutyl)-ether (3403-82-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;

Reference yield:

Butane-1,4-diol (110-63-4) → tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + 4-butanolide (96-48-0) + bis(4-hydroxybutyl)-ether (3403-82-5) + butan-1-ol (71-36-3)

Guidance literature:

With hydrogen; iron RFC; at 280 - 300 ℃; under 15001.2 - 22501.8 Torr; Product distribution; Mechanism;

DOI:10.1007/BF00663853

upstream raw materials:

bis-(4-chlorobutyl)ether

4-(4-acetoxybutoxy)butyl acetate

Butane-1,4-diol

5-oxa-nonanedioic acid dimethyl ester

Downstream raw materials:

2,5-dihydrofuran

6-oxa-undecanedinitrile

Refernces

• 1、 -. "FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS AND THEIR USE FOR THE PREVENTION OR TREATMENT OF DISEASE". Paragraph 0541-0543. . Retrieved 2021/01/29.
• 2、 -. "TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE". Paragraph 1166. . Retrieved 2018/05/24.