4,4'-Oxydi-2-butanol

Base Information

• Chemical Name: 4,4'-Oxydi-2-butanol
• CAS No.: 821-33-0
• Molecular Formula: C8H18 O3
• Molecular Weight: 162.229
• European Community (EC) Number: 212-475-3
• UNII: CR6X2Y7NRR
• DSSTox Substance ID: DTXSID70870777
• Nikkaji Number: J9.881G
• Wikidata: Q27275685
• Metabolomics Workbench ID: 154783
• Mol file: 821-33-0.mol

Synonyms:4,4'-oxybis-2-butanol;4,4'-oxydi-2-butanol;4,4'-oxydi-2-butanol, 2-(14)C-labeled;Debutil;DHDBE;dihydroxybutyl ether;dihydroxydibutylether;Dis-cinil

Chemical Property of 4,4'-Oxydi-2-butanol

Chemical Property:

• Melting Point: <25 °C
• Boiling Point: 278.4±15.0 °C(Predicted)
• PKA: 14.65±0.20(Predicted)
• Flash Point: 122.2oC
• PSA: 49.69000
• Density: 0.997±0.06 g/cm3(Predicted)
• LogP: 0.54480
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 162.125594432
• Heavy Atom Count: 11
• Complexity: 75.4

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCOCCC(C)O)O
• Recent ClinicalTrials: Efficacy of Galeo? in Patients With Postprandial Distress Syndrome Subtype in Functional Dyspepsia

Technology Process of 4,4'-Oxydi-2-butanol

There total 3 articles about 4,4'-Oxydi-2-butanol 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:

1.3-butanediol (18826-95-4,107-88-0) → 3-(3-hydroxy-butoxy)-1-butanol (65849-81-2) + Colenormol (821-33-0) + 3-(3-hydroxy-1-methylpropyloxy)-1-butanol (54289-82-6)

Guidance literature:

With 001 x 7 type strongly acidic cation exchange resin; for 3.5h; Time; Reagent/catalyst; Overall yield = 98.5 %; Overall yield = 58.3 g;

Reference yield:

1.3-butanediol (18826-95-4,107-88-0) → Colenormol (821-33-0)

Guidance literature:

With sulfuric acid; at 160 - 170 ℃;

Reference yield:

bis-(3-oxo-butyl)-ether (90113-31-8) → Colenormol (821-33-0)

Guidance literature:

Hydrogenation;

DOI:10.1111/j.1538-4632.2002.tb01088.x

upstream raw materials:

1.3-butanediol

bis-(3-oxo-butyl)-ether

Downstream raw materials:

1,3-dibromobutane

buta-1,3-diene

Refernces