GAMMA-HUMULENE

Base Information

• Chemical Name: GAMMA-HUMULENE
• CAS No.: 26259-79-0
• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.356
• Hs Code.: 2902199090
• Nikkaji Number: J17.061E,J2.380.735A
• Mol file: 26259-79-0.mol

Synonyms:1,6-Cycloundecadiene,1,8,8-trimethyl-5-methylene-, (E,E)- (8CI); Isohumulene; g-Humulene

Chemical Property of GAMMA-HUMULENE

Chemical Property:

• Vapor Pressure: 0.0083mmHg at 25°C
• Refractive Index: n20/D 1.515
• Boiling Point: 276°Cat760mmHg
• Flash Point: 110.1°C
• PSA: 0.00000
• Density: 0.85g/cm³
• LogP: 5.03540
• Storage Temp.: 2-8°C
• XLogP3: 5
• 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:

99%, ^*data from raw suppliers

GAMMA-HUMULENE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CCCC(=C)C=CC(CCC1)(C)C
• Isomeric SMILES: C/C/1=C/CCC(=C)/C=C\C(CCC1)(C)C

Technology Process of GAMMA-HUMULENE

There total 2 articles about GAMMA-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:

farnesyl pyrophosphate (372-97-4,13058-04-3,25744-33-6,27248-37-9,27248-38-0,40716-68-5) → γ-humulene (26259-79-0)

Guidance literature:

With γ-humulene synthase from Abiesgrandis; In aq. buffer; at 25 ℃; for 12h; pH=7.5; Enzymatic reaction;

DOI:10.1021/acschembio.5b00539

Reference yield:

humula-4,9-dien-8-ol (116538-30-8) → γ-humulene (26259-79-0) + α-himachalene (3853-83-6) + 2,4a,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene (1461-03-6,66141-06-8,94297-35-5,17928-54-0)

Guidance literature:

With pyridine; trichlorophosphate; at 0 ℃; for 14h; Title compound not separated from byproducts;

DOI:10.1007/BF00633390

upstream raw materials:

humula-4,9-dien-8-ol

farnesyl pyrophosphate

Refernces

• 1、 Khan, V. A.,Tkachev, A. V.,Pentegova, V. A.. "NEW SESQUITERPENOIDS FROM THE OLEORESIN OF Abies alba". . p. 606 - 611. Retrieved 2007/10/02.