Isohumulone

Base Information

Chemical Name:Isohumulone
CAS No.:25522-96-7
Molecular Formula:C₂₁H₃₀O₅
Molecular Weight:362.466
Hs Code.:
European Community (EC) Number:247-072-1
DSSTox Substance ID:DTXSID90948427
Nikkaji Number:J130.680D
Wikipedia:Isohumulone
Wikidata:Q3155510
Metabolomics Workbench ID:44167
Mol file:25522-96-7.mol

Synonyms:3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methyl-2-butenyl)-4-(4-methyl-3-pentenoyl)-2-cyclopenten-1-one;isohumulone

Suppliers and Price of Isohumulone

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 15 raw suppliers

Chemical Property of Isohumulone

Chemical Property:

Vapor Pressure:1.81E-13mmHg at 25°C
Melting Point:-10--5 °C
Boiling Point:530.5°C at 760 mmHg
PKA:2.87±0.58(Predicted)
Flash Point:288.7°C
PSA：91.67000
Density:1.135g/cm³
LogP:3.62540
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:362.20932405
Heavy Atom Count:26
Complexity:685

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O
Uses Isohumulone is a chemical compound that contributes to the bitter taste of beer. It belongs to a class of compound known as the Iso-alpha acids found in the hops.

Technology Process of Isohumulone

There total 7 articles about Isohumulone 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: 62.0%