4-Pentyloxybenzyl alcohol

Base Information

• Chemical Name: 4-Pentyloxybenzyl alcohol
• CAS No.: 81720-38-9
• Molecular Formula: C12H18O2
• Molecular Weight: 194.274
• European Community (EC) Number: 831-240-1
• NSC Number: 69114
• DSSTox Substance ID: DTXSID00290525
• Wikidata: Q82028244
• Mol file: 81720-38-9.mol

Synonyms:4-Pentyloxybenzyl alcohol;(4-pentoxyphenyl)methanol;81720-38-9;[4-(PENTYLOXY)PHENYL]METHANOL;(4-(pentyloxy)phenyl)methanol;NSC69114;starbld0002939;SCHEMBL730251;4-Pentyloxybenzyl alcohol, 98%;DTXSID00290525;NSC-69114;AKOS000249180;CS-0256655;EN300-6504960;J-018734;Z335245846

Chemical Property of 4-Pentyloxybenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.000251mmHg at 25°C
• Boiling Point: 310.8°C at 760 mmHg
• Flash Point: 129.4°C
• Density: 1.005g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 128

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=CC=C(C=C1)CO

Technology Process of 4-Pentyloxybenzyl alcohol

There total 3 articles about 4-Pentyloxybenzyl alcohol 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: 95.0%

4-(n-pentyloxy)benzaldehyde (5736-91-4) → (4-(pentyloxy)phenyl)methanol (81720-38-9)

Guidance literature:

With formic acid; C₂₀H₂₉ClIrN₄⁽¹⁺⁾*Cl^(1-); In ethanol; water; at 80 ℃; for 1h; chemoselective reaction;

DOI:10.1039/c7gc01289f

Reference yield:

1-Bromopentane (110-53-2) → (4-(pentyloxy)phenyl)methanol (81720-38-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 20 °C / Inert atmosphere

2: sodium tetrahydroborate / methanol / 0 - 20 °C / Inert atmosphere

With sodium tetrahydroborate; potassium carbonate; In methanol; N,N-dimethyl-formamide; 1: |Williamson Ether Synthesis;

DOI:10.1016/j.bmc.2013.10.015

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → (4-(pentyloxy)phenyl)methanol (81720-38-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 20 °C / Inert atmosphere

2: sodium tetrahydroborate / methanol / 0 - 20 °C / Inert atmosphere

With sodium tetrahydroborate; potassium carbonate; In methanol; N,N-dimethyl-formamide; 1: |Williamson Ether Synthesis;

DOI:10.1016/j.bmc.2013.10.015

upstream raw materials:

4-(n-pentyloxy)benzaldehyde

1-Bromopentane

4-hydroxy-benzaldehyde

Downstream raw materials:

1-(bromomethyl)-4-(pentyloxy)benzene