beta-Humulene

Base Information

Chemical Name:beta-Humulene
CAS No.:116-04-1
Molecular Formula:C15H24
Molecular Weight:204.356
Hs Code.:
UNII:KK0W1K5Z3S
DSSTox Substance ID:DTXSID101019015
Wikidata:Q27121617
Metabolomics Workbench ID:28269
Mol file:116-04-1.mol

Synonyms:beta-Humulene;.beta.-Humulene;(E,E)-1,4,4-Trimethyl-8-methylene-1,5-cycloundecadiene;(4E,8E)-beta-humulene;UNII-KK0W1K5Z3S;KK0W1K5Z3S;116-04-1;(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;1,5-Cycloundecadiene, 1,4,4-trimethyl-8-methylene-, (1E,5E)-;(1E,5E)-1,4,4-trimethyl-8-methylenecycloundeca-1,5-diene;1,5-Cycloundecadiene, 1,4,4-trimethyl-8-methylene-, (E,E)-;(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene (4E,8E)-humula-4,8,11-triene;beta -Humulene;.BETA.-HUMULENE [MI];CHEBI:49312;HAVYZKHVTLAPDZ-PPGMXFKZSA-N;DTXSID101019015;(4E,8E)-humula-4,8,11-triene;LMPR0103110005;beta-Humulene, technical, >=90% (GC);1,4,4-Trimethyl-8-methylene-1,5-cycloundecadiene #;Q27121617;trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene

Suppliers and Price of beta-Humulene

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

TRC
β-Humulene(TechnicalGrade)
10mg
$ 185.00

TRC
β-Humulene(TechnicalGrade)
5mg
$ 125.00

TRC
β-Humulene(TechnicalGrade)
25mg
$ 380.00

Sigma-Aldrich
β-Humulene technical, ≥90% (GC)
100mg
$ 299.00

American Custom Chemicals Corporation
BETA-HUMULENE 95.00%
5MG
$ 495.13

Total 11 raw suppliers

Chemical Property of beta-Humulene

Chemical Property:

Vapor Pressure:0.01mmHg at 25°C
Melting Point:<25 °C
Refractive Index:n20/D 1.504
Boiling Point:272.6°Cat760mmHg
Flash Point:108.4°C
PSA：0.00000
Density:0.85g/cm³
LogP:5.03540
Storage Temp.:2-8°C
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:204.187800766
Heavy Atom Count:15
Complexity:276

Purity/Quality:

98%,99%, ^*data from raw suppliers

β-Humulene(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 23-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCC(C=CCC(=C)CCC1)(C)C
Isomeric SMILES:C/C/1=C\CC(/C=C/CC(=C)CCC1)(C)C
Uses β-Humulene is an essential oil component, found to have bactericidal activity.

Technology Process of beta-Humulene

There total 4 articles about beta-Humulene 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:

: 116-04-1
β-humulene

Guidance literature:: With aluminum oxide; Chromatographie;

Reference yield:

: 21452-02-8
9-Brom-1,4,4-trimethyl-8-methylen-cycloundecadien-(1-trans,5-trans)

: 116-04-1
β-humulene

Guidance literature:: With ammonia; lithium;
DOI:10.1039/j39680003004

Reference yield:

: 6753-98-6
α-caryophyllene

: 116-04-1
β-humulene

Guidance literature:: Multi-step reaction with 2 steps

1: NBS

2: Li, liq. NH₃

With N-Bromosuccinimide; ammonia; lithium;
DOI:10.1039/j39680003004