Thymol isobutyrate

Base Information

Chemical Name:Thymol isobutyrate
CAS No.:5451-67-2
Molecular Formula:C14H20 O2
Molecular Weight:220.312
Hs Code.:
NSC Number:21848
DSSTox Substance ID:DTXSID30969717
Nikkaji Number:J675.403A
Wikidata:Q82952740

Synonyms:Thymol isobutyrate;5451-67-2;2-Isopropyl-5-methylphenyl isobutyrate;(5-methyl-2-propan-2-ylphenyl)2-methylpropanoate;Thymylisobutyrate;Thymyl isobutyrate;NSC21848;Thymol, isobutyrate;starbld0036172;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate;Isobutyric acid, thymyl ester;SCHEMBL14947268;DTXSID30969717;NSC-21848;AKOS040762997;5-Methyl-2-(propan-2-yl)phenyl 2-methylpropanoate;Propanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester

Suppliers and Price of Thymol isobutyrate

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 8 raw suppliers

Chemical Property of Thymol isobutyrate

Chemical Property:

Vapor Pressure:0.00459mmHg at 25°C
Boiling Point:277.2°Cat760mmHg
Flash Point:102.3°C
Density:0.971g/cm³
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:220.146329876
Heavy Atom Count:16
Complexity:233

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)C(C)C)OC(=O)C(C)C

Technology Process of Thymol isobutyrate

There total 3 articles about Thymol isobutyrate 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: 84.0%

: 89-83-8
thymol

: 79-31-2
isobutyric Acid

: 5451-67-2
2-isopropyl-5-methylphenyl isobutyrate

Guidance literature:: With triethylamine; In diethyl ether; for 5h;

Reference yield: 83.0%

: 89-83-8
thymol

: 97-72-3
2-Methylpropionic anhydride

: 5451-67-2
2-isopropyl-5-methylphenyl isobutyrate

Guidance literature:: With hafnium tetrakis(trifluoromethanesulfonate); In dichloromethane; at 20 ℃; for 0.25h;
DOI:10.1016/j.tetlet.2018.02.009