4-Pentylresorcinol

Base Information

• Chemical Name: 4-Pentylresorcinol
• CAS No.: 533-24-4
• Molecular Formula: C11H16 O2
• Molecular Weight: 180.247
• Hs Code.: 2907299090
• UNII: 6L7F5EZ375
• DSSTox Substance ID: DTXSID30201442
• Nikkaji Number: J801.951G
• Wikidata: Q83074665
• Mol file: 533-24-4.mol

Synonyms:4-Pentylresorcinol;Pentylresorcinol;4-pentylbenzene-1,3-diol;4-Amylresorcinol;533-24-4;Normalamylresorcinol;4-Pentyl-1,3-benzenediol;1,3-Benzenediol, 4-pentyl-;Resorcinol, 4-pentyl-;BRN 2092229;6L7F5EZ375;1,3-Benzenediol, 4-pentyl- (9CI);3-06-00-04693 (Beilstein Handbook Reference);4-n-Amyl-resorcin;N-PENTYLRESORCINOL;SCHEMBL69574;UNII-6L7F5EZ375;1,3-Dihydroxy-4-pentylbenzene;DTXSID30201442;AKOS006277641;LS-143421;FT-0758626;HEXYLRESORCINOL IMPURITY C [EP IMPURITY]

Chemical Property of 4-Pentylresorcinol

Chemical Property:

• Vapor Pressure: 0.000243mmHg at 25°C
• Melting Point: 72.5°C
• Refractive Index: 1.5103 (estimate)
• Boiling Point: 315°Cat760mmHg
• PKA: 10.09±0.18(Predicted)
• Flash Point: 149.8°C
• PSA: 40.46000
• Density: 1.068g/cm³
• LogP: 2.83050
• Water Solubility.: 2g/L(20 oC)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 136

Purity/Quality:

98%min ^*data from raw suppliers

4-PENTYLRESORCINOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC1=C(C=C(C=C1)O)O
• Uses: 4-?Pentyl-1,?3-?benzenediol could be useful in biological studies that involves mechanism-based inhibition of recombinant human cytochrome P 450 1A1.

Technology Process of 4-Pentylresorcinol

There total 6 articles about 4-Pentylresorcinol 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: 54.0%

1-(2,4-dihydroxyphenyl) pentan-1-one (15116-13-9) → 4-pentyl resorcinol (533-24-4)

Guidance literature:

With hydrogenchloride; amalgamated zinc; In ethanol;

Reference yield:

n-valeryl chloride (638-29-9) → 4-pentyl resorcinol (533-24-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / aluminum chloride / nitrobenzene

2: 54 percent / zinc amalgame, hydrochloric acid / ethanol

With hydrogenchloride; amalgamated zinc; aluminium trichloride; In ethanol; nitrobenzene;

Reference yield:

recorcinol (108-46-3) → 4-pentyl resorcinol (533-24-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / aluminum chloride / nitrobenzene

2: 54 percent / zinc amalgame, hydrochloric acid / ethanol

With hydrogenchloride; amalgamated zinc; aluminium trichloride; In ethanol; nitrobenzene;

upstream raw materials:

1-(2,4-dihydroxyphenyl) pentan-1-one

hydrogenchloride

n-valeryl chloride

recorcinol

Downstream raw materials:

1-(2,4-dihydroxy-5-pentyl-phenyl)-ethanone

1-{3-[2,6-Dihydroxy-3-pentyl-5-(2,2,2-trifluoro-acetyl)-benzyl]-2,4-dihydroxy-5-pentyl-phenyl}-2,2,2-trifluoro-ethanone

7-Hydroxy-6-pentyl-3-phenyl-chromen-4-one

5-Amino-2-pentyl-phenol

Refernces