Cinnamyl phenylacetate

Base Information

• Chemical Name: Cinnamyl phenylacetate
• CAS No.: 7492-65-1
• Molecular Formula: C17H16O2
• Molecular Weight: 252.313
• European Community (EC) Number: 231-322-1
• UNII: RZS01F7HF1
• DSSTox Substance ID: DTXSID301021199
• Nikkaji Number: J1.280.270F,J278.887J
• Wikidata: Q27288369
• Mol file: 7492-65-1.mol

Synonyms:Cinnamyl phenylacetate;7492-65-1;Cinnamyl alpha-toluate;cinnamyl phenyl acetate;[(E)-3-phenylprop-2-enyl] 2-phenylacetate;cinnamyl 2-phenylacetate;3-Phenylallyl phenylacetate;Benzeneacetic acid, 3-phenyl-2-propenyl ester;FEMA No. 2300;RZS01F7HF1;133871-04-2;Benzeneacetic acid, 3-phenyl-2-propyl ester;3-Phenyl-2-propenyl benzeneacetate;EINECS 231-322-1;Acetic acid, phenyl-, cinnamyl ester;3-Phenyl-2-propen-1-yl phenylacetate;AI3-36589;Benzeneacetic acid, (2E)-3-phenyl-2-propenyl ester;Benzeneacetic acid, 3-phenyl-2-propenyl ester, (E)-;Benzeneacetic acid, (2E)-3-phenyl-2-propen-1-yl ester;Cinnamylalphatoluate;UNII-RZS01F7HF1;Cinnamyl phenylacetate [FIFH];(2E)-3-Phenyl-2-propenyl phenylacetate;SCHEMBL382424;Phenylacetic acid cinnamyl ester;CHEBI:174333;SFXQCOMMEMBETJ-KPKJPENVSA-N;DTXSID301021199;CINNAMYL PHENYLACETATE [FHFI];Phenylacetic acid 3-phenylallyl ester;AKOS006411970;(2E)-3-Phenyl-2-propenyl phenylacetate #;(2E)-3-Phenyl-2-propen-1-yl phenylacetate;Q27288369

Chemical Property of Cinnamyl phenylacetate

Chemical Property:

• Vapor Pressure: 1.59E-06mmHg at 25°C
• Boiling Point: 397.4°C at 760 mmHg
• Flash Point: 162.2°C
• PSA: 26.30000
• Density: 1.108
• LogP: 3.48570
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 252.115029749
• Heavy Atom Count: 19
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

CINNAMYL PHENYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)OCC=CC2=CC=CC=C2
• Isomeric SMILES: C1=CC=C(C=C1)CC(=O)OC/C=C/C2=CC=CC=C2

Technology Process of Cinnamyl phenylacetate

There total 3 articles about Cinnamyl phenylacetate 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: 93.0%

3-Phenylpropenol (104-54-1) + phenylacetyl chloride (103-80-0) → cinnamyl 2-phenylacetate (7492-65-1)

Guidance literature:

With pyridine; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1002/chem.201304384

Reference yield: 81.0%

phenylacetic acid (103-82-2) + 3-Phenylpropenol (104-54-1) → cinnamyl 2-phenylacetate (7492-65-1)

Guidance literature:

With 1,3-diazido-propane; triphenylphosphine; In neat (no solvent); at 20 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2015.10.073

Reference yield:

→ cinnamyl 2-phenylacetate (7492-65-1)

Guidance literature:

Phenylessigsaeure, 3-Phenylallylalkohol;

upstream raw materials:

3-Phenylpropenol

phenylacetyl chloride

phenylacetic acid

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