4-Propan-2-yloxybutan-2-ol

Base Information

• Chemical Name: 4-Propan-2-yloxybutan-2-ol
• CAS No.: 40091-57-4
• Molecular Formula: C₇H₁₆O₂
• Molecular Weight: 132.203
• DSSTox Substance ID: DTXSID10960540
• Nikkaji Number: J1.619.492A
• Mol file: 40091-57-4.mol

Synonyms:4-(propan-2-yloxy)butan-2-ol;40091-57-4;4-propan-2-yloxybutan-2-ol;2-Butanol, 4-(1-methylethoxy)-;4-(1-METHYLETHOXY)-2-BUTANOL;4-isopropyloxy-2-butanol;4-Propan-2-yloxy-2-butanol;SCHEMBL2947395;DTXSID10960540;IVTACLGUUXBTMN-UHFFFAOYSA-N;4-[(Propan-2-yl)oxy]butan-2-ol;AKOS011042271;CS-0239384;EN300-211522

Chemical Property of 4-Propan-2-yloxybutan-2-ol

Chemical Property:

• Vapor Pressure: 0.156mmHg at 25°C
• Boiling Point: 189.4°C at 760 mmHg
• PKA: 14.98±0.20(Predicted)
• Flash Point: 56.8°C
• PSA: 29.46000
• Density: 0.889g/cm³
• LogP: 1.18230
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 132.115029749
• Heavy Atom Count: 9
• Complexity: 61.9

Purity/Quality:

97% ^*data from raw suppliers

4-(propan-2-yloxy)butan-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OCCC(C)O

Technology Process of 4-Propan-2-yloxybutan-2-ol

There total 4 articles about 4-Propan-2-yloxybutan-2-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: 70.0%

→ 4-isopropoxy-2-butanol (40091-57-4)

Guidance literature:

Reference yield: 13.0%

2-hydroxy-3-butene (598-32-3) + isopropyl alcohol (67-63-0,8013-70-5) → 4-isopropoxy-2-butanol (40091-57-4)

Guidance literature:

With C₅₇H₆₃N₄OP₂Ru⁽¹⁺⁾*Cl^(1-); potassium tert-butylate; at 50 ℃; for 22h; Inert atmosphere;

DOI:10.1246/cl.171104

Reference yield:

4-isopropoxy-2-butanone (32541-58-5) → 4-isopropoxy-2-butanol (40091-57-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Heating;

upstream raw materials:

4-isopropoxy-2-butanone

1.3-butanediol

isopropyl bromide

2-hydroxy-3-butene

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