Phenyl undec-10-enoate

Base Information

• Chemical Name: Phenyl undec-10-enoate
• CAS No.: 18508-59-3
• Molecular Formula: C17H24 O2
• Molecular Weight: 260.376
• Hs Code.: 2916190090
• European Community (EC) Number: 242-390-7
• DSSTox Substance ID: DTXSID70171711
• Nikkaji Number: J222.227B
• Wikidata: Q83041850
• Mol file: 18508-59-3.mol

Synonyms:Phenyl undec-10-enoate;18508-59-3;EINECS 242-390-7;SCHEMBL7587172;10-Undecenoic acid phenyl ester;DTXSID70171711

Chemical Property of Phenyl undec-10-enoate

Chemical Property:

• Vapor Pressure: 1.47E-05mmHg at 25°C
• Boiling Point: 366.3°Cat760mmHg
• Flash Point: 123.9°C
• PSA: 26.30000
• Density: 0.961g/cm³
• LogP: 4.89880
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 260.177630004
• Heavy Atom Count: 19
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenyl undec-10-enoate

There total 3 articles about Phenyl undec-10-enoate 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: 89.0%

bis(phenyl) carbonate (102-09-0) + 10-undecenoic acid (112-38-9) → phenyl 10-undecenoate (18508-59-3)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In neat (no solvent); at 160 ℃; for 24h; Temperature; Reagent/catalyst; Green chemistry;

DOI:10.1039/c5ra10206e

Reference yield:

10-undecenoic acid (112-38-9) + dicyclohexyl-carbodiimide (538-75-0) + phenol (108-95-2,27073-41-2) → phenyl 10-undecenoate (18508-59-3) + N-cyclohexyl-N-[(cyclohexylamino)carbonyl]-ω-undecenemide

Guidance literature:

In acetonitrile; at 25 ℃; for 1h;

DOI:10.1039/b312559a

Reference yield:

→ phenyl 10-undecenoate (18508-59-3)

Guidance literature:

Undecylensaeure-chlorid, Phenol;

upstream raw materials:

10-undecenoic acid

dicyclohexyl-carbodiimide

phenol

bis(phenyl) carbonate

Downstream raw materials:

undec-10-enamide

10-undecenoic acid benzyl ester

allyl 10-undec-10-enoate

butyl 10-undecenoate

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