Eugenyl benzoate

Base Information Edit

Chemical Name:Eugenyl benzoate
CAS No.:531-26-0
Molecular Formula:C17H16O3
Molecular Weight:268.312
Hs Code.:2916310090
European Community (EC) Number:208-504-4
NSC Number:408913
UNII:YRO21E9Z35
DSSTox Substance ID:DTXSID70862132
Nikkaji Number:J60.348A
Wikidata:Q27294677
Metabolomics Workbench ID:45238
ChEMBL ID:CHEMBL264141
Mol file:531-26-0.mol

Synonyms:Eugenyl benzoate;Eugenol benzoate;4-Allyl-2-methoxyphenyl benzoate;Benzoyl eugenol;531-26-0;p-Eugenol, benzoate;(2-methoxy-4-prop-2-enylphenyl) benzoate;PHENOL, 2-METHOXY-4-(2-PROPENYL)-, BENZOATE;Phenol, 4-allyl-2-methoxy-, benzoate;FEMA No. 2471;Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-benzoate;2-methoxy-4-(prop-2-en-1-yl)phenyl benzoate;UNII-YRO21E9Z35;2-Methoxy-4-(2-propenyl)phenyl benzoate;YRO21E9Z35;EINECS 208-504-4;NSC 408913;NSC-408913;AI3-23236;Eugenyl Benzoat;Spectrum_000718;SpecPlus_000268;Spectrum2_001905;Spectrum3_001313;Spectrum4_001465;Spectrum5_000109;Oprea1_410467;BSPBio_003005;KBioGR_002009;KBioSS_001198;SPECTRUM300157;MLS001049077;DivK1c_006364;SCHEMBL357066;SPBio_001870;CHEMBL264141;EUGENYL BENZOATE [FHFI];FEMA 2471;KBio1_001308;KBio2_001198;KBio2_003766;KBio2_006334;KBio3_002225;DTXSID70862132;CHEBI:174535;HMS2268G13;CCG-38476;NSC408913;STL511304;AKOS030490315;benzoic acid eugenyl ester, AldrichCPR;SDCCGMLS-0066560.P001;NCGC00095927-01;NCGC00095927-02;SMR000386915;Phenol, 4-allyl-2-methoxy-, benzoate (8CI);AE-562/13525005;SR-01000758224;SR-01000758224-2;Q27294677

Suppliers and Price of Eugenyl benzoate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
BENZOIC ACID EUGENYL ESTER 95.00%
5MG
$ 498.49

Total 14 raw suppliers

Chemical Property of Eugenyl benzoate Edit

Chemical Property:

Vapor Pressure:2.29E-05mmHg at 25°C
Refractive Index:1.564
Boiling Point:360 °C at 760 mmHg
Flash Point:181.3 °C
PSA：35.53000
Density:1.112 g/cm³
LogP:3.64290
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:268.109944368
Heavy Atom Count:20
Complexity:320

Purity/Quality:

98%min ^*data from raw suppliers

BENZOIC ACID EUGENYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=CC(=C1)CC=C)OC(=O)C2=CC=CC=C2

Technology Process of Eugenyl benzoate

There total 8 articles about Eugenyl benzoate 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: 96.0%

: 97-53-0
4-allylguaiacol

: 98-88-4
benzoyl chloride

: 531-26-0
2-methoxy-4-allylphenyl benzoate

Guidance literature:: In dichloromethane; at 0 ℃; for 3h; Reflux;
DOI:10.17344/acsi.2018.4380

Reference yield: 90.0%

: 97-54-1
2-methoxy-4-propenylphenol

: 98-88-4
benzoyl chloride

: 531-26-0
2-methoxy-4-allylphenyl benzoate

Guidance literature:: With triethylamine; In dichloromethane; at 25 ℃; for 3h;

Reference yield: 86.0%

: 97-53-0
4-allylguaiacol

: 10533-83-2
N-benzoyl-N-methyl-4-methylbenzenesulfonamide

: 531-26-0
2-methoxy-4-allylphenyl benzoate

Guidance literature:: With potassium phosphate; In tetrahydrofuran; at 23 ℃; for 15h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.8b02323