Guaiacyl phenylacetate

Base Information

• Chemical Name: Guaiacyl phenylacetate
• CAS No.: 4112-89-4
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• Hs Code.: 2916399090
• European Community (EC) Number: 223-898-8
• UNII: LLO759386W
• DSSTox Substance ID: DTXSID1063306
• Nikkaji Number: J224.918I
• Wikidata: Q27283059
• Metabolomics Workbench ID: 47876
• Mol file: 4112-89-4.mol

Synonyms:Guaiacyl phenylacetate;4112-89-4;Guaiacol phenylacetate;2-METHOXYPHENYL PHENYLACETATE;FEMA 2535;(2-methoxyphenyl) 2-phenylacetate;Benzeneacetic acid, 2-methoxyphenyl ester;Guaicyl phenylacetate;Guaiacyl phenyl acetate;FEMA No. 2535;2-methoxyphenyl 2-phenylacetate;Acetic acid, phenyl-, O-methoxyphenyl ester;Methylcatechol acetate, o-;O-Methoxyphenyl phenylacetate;UNII-LLO759386W;Methoxyphenyl phenylacetate, o-;LLO759386W;EINECS 223-898-8;Gujaphenyl;Gunyl;O-Methylcatechol acetate;BENZENEACETIC ACID,2-METHOXYPHENYL ESTER;2-Methoxyphenol phenylacetate;SCHEMBL1171372;2 - methoxyphenyl phenylacetate;2-Methoxyphenyl phenylacetate #;DTXSID1063306;CHEBI:173746;GUAIACOL PHENYLACETATE [MI];GUAIACYL PHENYLACETATE [FHFI];Guaiacyl phenylacetate, >=98%, FG;GUAIACOL PHENYLACETATE [WHO-DD];AS-75732;FT-0635138;D93425;Q27283059

Chemical Property of Guaiacyl phenylacetate

Chemical Property:

• Vapor Pressure: 3.39E-05mmHg at 25°C
• Melting Point: 40-43 °C(lit.)
• Refractive Index: 1.562
• Boiling Point: 354.2 °C at 760 mmHg
• Flash Point: 147.5 °C
• PSA: 35.53000
• Density: 1.144 g/cm³
• LogP: 2.84330
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

Guaiacyl phenylacetate ≥98%, FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=CC=C1OC(=O)CC2=CC=CC=C2
• Description: Guaiacyl phenylacetate has a heavy, dry, woody, herbaceous odor and a woody, spicy, smoky flavor. This may be synthesized from phenylacetyl chloride and guaiacol in aqueous alkaline solution or using pyridine.

Technology Process of Guaiacyl phenylacetate

There total 2 articles about Guaiacyl 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: 98.0%

2-methoxy-phenol (90-05-1) + phenylacetyl chloride (103-80-0) → 2-methoxyphenyl 2-phenylacetate (4112-89-4)

Guidance literature:

With sodium hydroxide; In water; at 0 - 5 ℃; for 2h;

DOI:10.1081/SCC-120021843

Reference yield:

phenylacetic acid (103-82-2) + 2-methoxy-phenol (90-05-1) → 2-methoxyphenyl 2-phenylacetate (4112-89-4)

Guidance literature:

With trichlorophosphate;

Reference yield: 90.0%

2-methoxyphenyl 2-phenylacetate (4112-89-4) → 1-(4-hydroxy-3-methoxyphenyl)-2-phenylethan-1-one (66476-02-6)

Guidance literature:

With aluminium trichloride; at 60 - 70 ℃; for 1h;

DOI:10.1081/SCC-120021843

upstream raw materials:

phenylacetic acid

2-methoxy-phenol

phenylacetyl chloride

Downstream raw materials:

2-Phenylacetoxy-4-phenylacetylanisol

1-(4-hydroxy-3-methoxyphenyl)-2-phenylethan-1-one

2-methoxy-4-((E)-phenylethenyl)phenol

4-(1-Hydroxy-2-phenyl-ethyl)-2-methoxy-phenol

Refernces

• 1、 Chhor, Rakeshwar B.,Singh, Kunwar A.,Nosse,Tandon, Vishnu K.. "A convenient one-pot completely stereoselective synthesis of trans-4-Hydroxystilbenes and its derivatives and X-ray structure of its precursor". . p. 2519 - 2530. Retrieved 2007/10/03.