Allyl phenylacetate

Base Information

• Chemical Name: Allyl phenylacetate
• CAS No.: 1797-74-6
• Molecular Formula: C11H12 O2
• Molecular Weight: 176.215
• Hs Code.: 29163990
• European Community (EC) Number: 217-281-2
• NSC Number: 6574
• UNII: 3D2NBC7K7Q
• DSSTox Substance ID: DTXSID8061977
• Nikkaji Number: J33.470G
• Wikipedia: Allyl_phenylacetate
• Wikidata: Q27257052
• Metabolomics Workbench ID: 47548
• Mol file: 1797-74-6.mol

Synonyms:Allyl phenylacetate;1797-74-6;2-Propenyl phenylacetate;Phenylacetic acid allyl ester;prop-2-enyl 2-phenylacetate;Benzeneacetic acid, 2-propenyl ester;2-Propenyl benzeneacetate;Allyl alpha-toluate;allyl 2-phenylacetate;Benzeneacetic acid, 2-propen-1-yl ester;ACETIC ACID, PHENYL-, ALLYL ESTER;FEMA No. 2039;allyl phenyl acetate;NSC 6574;EINECS 217-281-2;UNII-3D2NBC7K7Q;BRN 1867491;3D2NBC7K7Q;AI3-22225;NSC-6574;3-09-00-02181 (Beilstein Handbook Reference);Esculenticacid;allylphenyl acetate;Allyl=phenylacetate;WLN: 1U2OV1R;ALLYL .ALPHA.-TOLUATE;SCHEMBL203679;prop-2-en-1-yl phenylacetate;Allyl Phenylacetate, >/=98%;DTXSID8061977;NSC6574;prop-2-en-1-yl 2-phenylacetate;CHEBI:168585;2- PROPENYL BENZENEACETATE;ALLYL PHENYLACETATE [FHFI];Allyl phenylacetate, >=99%, FG;MFCD00048176;AKOS015914259;LS-2553;Allyl phenylacetate, analytical standard;AS-80590;CS-0377996;FT-0633847;P0901;A50728;A881227;Q27257052

Chemical Property of Allyl phenylacetate

Chemical Property:

• Appearance/Colour: Colourless, slightly viscous liquid with a honey-like odour
• Vapor Pressure: 0.0171mmHg at 25°C
• Refractive Index: n20/D 1.508(lit.)
• Boiling Point: 254.6 °C at 760 mmHg
• Flash Point: 113 ºC
• PSA: 26.30000
• Density: 1.037
• LogP: 1.95830
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

98%,99%, ^*data from raw suppliers

Allyl Phenylacetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC(=O)CC1=CC=CC=C1
• Recent EU Clinical Trials: Thoracic epidural anesthesia with ropivacaine: effects of age on neural blockade and cardiovascular parameters
• Uses: Allyl Phenylacetate is a synthetic flavoring agent that is a stable, colorless to light yellow liquid with a fruity odor of banana and honey. it should be stored in glass or tin containers. it is used in flavors for honey and has application in candy and baked goods at 10–15 ppm.

Technology Process of Allyl phenylacetate

There total 16 articles about Allyl 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: 100.0%

α-bromo phenylacetic acid allyl ester (99853-19-7) → allyl phenylacetate (1797-74-6)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 80 ℃; for 5h;

DOI:10.1016/S0040-4020(96)01078-2

Reference yield: 97.0%

phenylacetic acid (103-82-2) + allyl alcohol (107-18-6) → allyl phenylacetate (1797-74-6)

Guidance literature:

With glucose-diphenylaminium tosylate-derived carbon solid acid (GDTCSA); In n-heptane; at 80 ℃; for 3h;

DOI:10.1039/c4gc01395f

Reference yield: 95.0%

Ethyl 2-phenylethanoate (101-97-3) + allyl alcohol (107-18-6) → allyl phenylacetate (1797-74-6)

Guidance literature:

scandium tris(trifluoromethanesulfonate); for 11h; Heating;

DOI:10.1055/s-2007-967936

upstream raw materials:

allyl alcohol

phenylacetyl chloride

phenylacetic acid

benzeneacetic acid methyl ester

Downstream raw materials:

allyl 3-allyloxycarbonyl-2-oxo-3-phenylpropanoate

1-(2-allyl-4-methoxyphenyl)ethan-1-one

Refernces

• 1、 Thurow, Samuel,Fernandes, Alessandra A. G.,Quevedo-Acosta, Yovanny,De Oliveira, Matheus F.,De Oliveira, Marcelo G.,Jurberg, Igor D.. "Preparation of Organic Nitrates from Aryldiazoacetates and Fe(NO3)3·9H2O". supporting information. p. 6909 - 6913. Retrieved 2019/09/12.
• 2、 Bernardim, Barbara,Hardman-Baldwin, Andrea M.,Burtoloso, Antonio C. B.. "LED lighting as a simple, inexpensive, and sustainable alternative for Wolff rearrangements". . p. 13311 - 13314. Retrieved 2015/02/19.