2-Phenylethyl formate

Base Information

• Chemical Name: 2-Phenylethyl formate
• CAS No.: 104-62-1
• Molecular Formula: C9H10 O2
• Molecular Weight: 150.177
• Hs Code.: 2915120000
• European Community (EC) Number: 203-220-7
• NSC Number: 404456
• UNII: 3X97A637DJ
• DSSTox Substance ID: DTXSID2059300
• Nikkaji Number: J34.715I
• Wikidata: Q27159613
• Metabolomics Workbench ID: 49037
• Mol file: 104-62-1.mol

Synonyms:2-Phenylethyl formate;Phenethyl formate;104-62-1;Formic acid, 2-phenylethyl ester;Phenethyl alcohol, formate;Benzylcarbinyl formate;Phenylethyl formate;2-Phenethyl formate;2-Phenethyl methanoate;Benzeneethanol, formate;Benzylcarbinyl methanoate;FORMIC ACID, PHENETHYL ESTER;FEMA No. 2864;2-Fenylethylester kyseliny mravenci;Phenethyl formate (natural);NSC 404456;Phenyl ethyl formate;Benzyl carbinyl formate;.beta.-Phenethyl formate;EINECS 203-220-7;.beta.-Phenylethyl formate;Formic Acid Phenethyl Ester;BRN 2044524;UNII-3X97A637DJ;AI3-18542;2-Fenylethylester kyseliny mravenci [Czech];3X97A637DJ;NSC-404456;FORMIC ACID 2-PENTYLETHYL ESTER;beta-Phenylethyl formate;phenethylformate;Formic acid phenethyl;beta-Phenethyl formate;beta -phenethyl formate;beta -phenylethyl formate;beta-phenyl ethyl formate;1-(Phenylethyl) Formate;WLN: VHO2R;2-Phenylethyl formate, 9CI;SCHEMBL26583;Formic acid,2-phenylethyl ester;DTXSID2059300;PHENETHYL FORMATE [FHFI];CHEBI:87417;FEMA 2864;Formic Acid 2-Phenylethyl Ester;IKDIJXDZEYHZSD-UHFFFAOYSA-;Phenethyl formate, >=96%, FG;Phenethyl alcohol, formate (8CI);BCP25275;MFCD00021046;NSC404456;AKOS015900485;LS-3029;F0363;FT-0626534;E78940;Q27159613

Chemical Property of 2-Phenylethyl formate

Chemical Property:

• Appearance/Colour: COLORLESS LIQUID
• Vapor Pressure: 0.0505mmHg at 25°C
• Refractive Index: n20/D 1.5075(lit.)
• Boiling Point: 235.3 °C at 760 mmHg
• Flash Point: 119.1 °C
• PSA: 26.30000
• Density: 1.054 g/cm³
• LogP: 2.03800
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

2-Phenylethyl Formate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCOC=O

Technology Process of 2-Phenylethyl formate

There total 56 articles about 2-Phenylethyl formate 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: 99.0%

2-phenylethanol (60-12-8) + formic acid ethyl ester (109-94-4) → formic acid phenethyl ester (104-62-1)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; for 0.5h; Heating;

Reference yield: 97.0%

formic acid (64-18-6) + 2-phenylethanol (60-12-8) → formic acid phenethyl ester (104-62-1)

Guidance literature:

With Iron(III) nitrate nonahydrate; sodium iodide; at 20 ℃; for 1h; neat (no solvent);

DOI:10.1016/S1872-2067(10)60160-X

Reference yield: 97.0%

4-(2-propenyl-2H-tetrazol-5-yl)-morpholine + 2-phenylethanol (60-12-8) → formic acid phenethyl ester (104-62-1) + 5-(4-morpholinyl)-2H-tetrazole (133237-33-9)

Guidance literature:

4-(2-propenyl-2H-tetrazol-5-yl)-morpholine; 2-phenylethanol; With ozone; In dichloromethane; at -78 ℃;

With dimethylsulfide; In dichloromethane; at -78 - 20 ℃;

DOI:10.1021/jo050836q

upstream raw materials:

formic acid

2-phenylethanol

N-formylformamide

2-phenylethyl chloride

Downstream raw materials:

(RS)-2-phenyl-1-propanol

2-phenylethyl (E)-cinnamate

2-phenylethyl phenylcarbamate

(2-(difluoromethoxy)ethyl)benzene

Refernces

• 1、 Huang, Zhongyan,Xu, Jiaxi. "Efficient synthesis of 5-substituted thiazolidin-2-ones from xanthates and tert-butyl N-allylcarbamates". . p. 10272 - 10278. Retrieved 2013.
• 2、 Kaithal, Akash,H?lscher, Markus,Leitner, Walter. "Carbon monoxide and hydrogen (syngas) as a C1-building block for selective catalytic methylation". . p. 976 - 982. Retrieved 2021/02/06.
• 3、 Perdomo, Igor Chiarelli,Gianolio, Stefania,Pinto, Andrea,Romano, Diego,Contente, Martina Letizia,Paradisi, Francesca,Molinari, Francesco. "Efficient Enzymatic Preparation of Flavor Esters in Water". . p. 6517 - 6522. Retrieved 2019/06/20.