Octanoic acid, 4-hydroxyphenyl ester

Base Information

• Chemical Name: Octanoic acid, 4-hydroxyphenyl ester
• CAS No.: 63133-91-5
• Molecular Formula: C14H20 O3
• Molecular Weight: 236.311
• Hs Code.: 2915900090
• European Community (EC) Number: 263-902-5
• DSSTox Substance ID: DTXSID3069693
• Nikkaji Number: J326.969H
• Wikidata: Q81996672
• Mol file: 63133-91-5.mol

Synonyms:63133-91-5;4-Hydroxyphenyl octanoate;4-(Octanoyloxy)phenol;Octanoic acid, 4-hydroxyphenyl ester;(4-hydroxyphenyl) octanoate;Hydroquinone monocaprylate;EINECS 263-902-5;SCHEMBL7585387;DTXSID3069693;Caprylic acid 4-hydroxyphenyl ester;Octanoic acid,4-hydroxyphenyl ester;STK092145

Chemical Property of Octanoic acid, 4-hydroxyphenyl ester

Chemical Property:

• Vapor Pressure: 1.46E-05mmHg at 25°C
• Boiling Point: 356.1°C at 760 mmHg
• Flash Point: 144.4°C
• PSA: 46.53000
• Density: 1.052g/cm³
• LogP: 3.65810
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 236.14124450
• Heavy Atom Count: 17
• Complexity: 208

Purity/Quality:

98% ^*data from raw suppliers

4-(OCTANOYLOXY)PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OC1=CC=C(C=C1)O

Technology Process of Octanoic acid, 4-hydroxyphenyl ester

There total 5 articles about Octanoic acid, 4-hydroxyphenyl ester 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: 70.2%

octanoic acid 4-benzyloxyphenylester (111131-18-1) → 4-hydroxyphenyl octanoate (63133-91-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 52 ℃; for 3h; under 2585.7 Torr;

Reference yield: 45.0%

hydroquinone (123-31-9,8027-02-9) + n-octanoic acid chloride (111-64-8) → 4-hydroxyphenyl octanoate (63133-91-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1002/anie.201802082

Reference yield:

n-octanoic acid chloride (111-64-8) → 4-hydroxyphenyl octanoate (63133-91-5)

Guidance literature:

With hydroquinone; In tetrahydrofuran; sodium hydroxide; water; ethyl acetate;

upstream raw materials:

octanoic acid 4-benzyloxyphenylester

4-Benzyloxyphenol

n-octanoic acid chloride

hydroquinone

Refernces

• 1、 Neubert, Mary E.,Wildman, Patricia J.,Zawaski, Michael J.,Hanlon, Carol A.,Benyo, Theresa L.,Vries, Adriaan De. "THE EFFECT OF CARBONYL CONTAINING SUBSTITUENTS IN THE TERMINAL CHAINS ON MESOMORPHIC PROPERTIES IN AROMATIC ESTERS AND THIOESTERS, 2. ACYLOXY GROUPS ON THE PHENOLIC END". . p. 111 - 158. Retrieved 2007/10/02.