Amyl anisate

Base Information

Chemical Name:Amyl anisate
CAS No.:6938-46-1
Molecular Formula:C13H18 O3
Molecular Weight:222.284
Hs Code.:
NSC Number:53965
DSSTox Substance ID:DTXSID80989167
Nikkaji Number:J2.666.560D
Wikidata:Q82978074
Mol file:6938-46-1.mol

Synonyms:Amyl anisate;Pentyl 4-methoxybenzoate;Anisic acid, pentyl ester;6938-46-1;Benzoic acid, 4-methoxy-, pentyl ester;n-Amyl anisoate;Pentyl 4-methoxybenzoate #;SCHEMBL1987834;DTXSID80989167;4-Methoxybenzoic acid pentyl ester;NSC53965;p-Methoxybenzoic acid, pentyl ester;NSC-53965

Suppliers and Price of Amyl anisate

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 6 raw suppliers

Chemical Property of Amyl anisate

Chemical Property:

Vapor Pressure:1.28E-13mmHg at 25°C
Boiling Point:316°Cat760mmHg
Flash Point:129.5°C
PSA：35.53000
Density:1.022g/cm³
LogP:3.04220
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:222.125594432
Heavy Atom Count:16
Complexity:195

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCOC(=O)C1=CC=C(C=C1)OC

Technology Process of Amyl anisate

There total 6 articles about Amyl anisate 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: 95.0%

: 71-41-0
pentan-1-ol

: 100-07-2
4-methoxy-benzoyl chloride

: 6938-46-1
n-pentyl p-methoxybenzoate

Guidance literature:: With samarium; In acetonitrile; at 70 ℃; for 0.0333333h;

Reference yield: 90.0%

: 71-41-0
pentan-1-ol

: 123-11-5
4-methoxy-benzaldehyde

: 6938-46-1
n-pentyl p-methoxybenzoate

Guidance literature:: With iron(III) perchlorate hydrate; dihydrogen peroxide; In water; at 0 - 20 ℃; for 20h;
DOI:10.1002/ejoc.200801176

Reference yield: 87.0%

: 638-49-3
n-pentyl formate

: 100-09-4
4-methoxybenzoic acid

: 6938-46-1
n-pentyl p-methoxybenzoate

Guidance literature:: With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate); In 1,2-dichloro-ethane; at 130 ℃; for 12h; Sealed tube;
DOI:10.1039/c4ob00193a