3-Phenylbutyl acetate

Base Information

Chemical Name:3-Phenylbutyl acetate
CAS No.:46319-71-5
Molecular Formula:C₁₂H₁₆O₂
Molecular Weight:192.258
Hs Code.:
European Community (EC) Number:256-262-3
DSSTox Substance ID:DTXSID40963549
Nikkaji Number:J155.105A
Mol file:46319-71-5.mol

Synonyms:3-Phenylbutyl acetate;46319-71-5;EINECS 256-262-3;SCHEMBL4781947;(+)-1-acetoxy-3-phenylbutane;Acetic acid 3-phenylbutyl ester;DTXSID40963549;DCQSJWISXFTJAP-UHFFFAOYSA-N

Suppliers and Price of 3-Phenylbutyl acetate

Supply Marketing:

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

Total 4 raw suppliers

Chemical Property of 3-Phenylbutyl acetate

Chemical Property:

Vapor Pressure:0.00752mmHg at 25°C
Boiling Point:268.8°C at 760 mmHg
Flash Point:109.1°C
PSA：26.30000
Density:0.998g/cm³
LogP:2.74330
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:192.115029749
Heavy Atom Count:14
Complexity:171

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Phenylbutyl acetate

There total 10 articles about 3-Phenylbutyl acetate 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: 72.0%

: 591-87-7
Allyl acetate

: 2722-36-3
3-phenyl-1-butanol

: 46319-71-5,71776-82-4,75946-83-7
3-phenyl-1-butyl acetate

Guidance literature:: With basic alumina; for 2h; Neat (no solvent); ball-milling;
DOI:10.1016/j.tetlet.2012.05.127

Reference yield: 59.0%

: 110-05-4
di-tert-butyl peroxide

: 122-72-5
3-phenylpropyl acetate

: 46319-71-5,71776-82-4,75946-83-7
3-phenyl-1-butyl acetate

Guidance literature:: With (1,2-dimethoxyethane)dichloronickel(II); [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; trifluoroacetic acid; 4,4',4-tri-tert-butyl-2,2':6',2-terpyridine; In 2,2,2-trifluoroethanol; at 25 ℃; for 16h; Irradiation;
DOI:10.1126/science.abh2623

Reference yield:

: 20883-16-3,53067-29-1
β-methylcinnamyl acetate

: 46319-71-5,71776-82-4,75946-83-7
3-phenyl-1-butyl acetate

Guidance literature:: With hydrogen; chiral Ir[COD][benzothiazole-imidazole] carbene; In dichloromethane; under 37503 Torr;
DOI:10.1016/j.tetlet.2006.08.039