alpha-CIS-BERGAMOTENE

Base Information

Chemical Name:alpha-CIS-BERGAMOTENE
CAS No.:18252-46-5
Molecular Formula:C₁₅H₂₄
Molecular Weight:204.356
Hs Code.:
UNII:VTF86SPQ4S
DSSTox Substance ID:DTXSID501037120,DTXSID301336980
Nikkaji Number:J464.105A
Wikidata:Q27131278
Metabolomics Workbench ID:61767
Mol file:18252-46-5.mol

Synonyms:alpha-bergamotene;cis-alpha-bergamotene;trans-alpha-bergamotene

Suppliers and Price of alpha-CIS-BERGAMOTENE

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
α-cis-Bergamotene
5mg
$ 330.00

Total 0 raw suppliers

Chemical Property of alpha-CIS-BERGAMOTENE

Chemical Property:

Boiling Point:259.5±7.0 °C(Predicted)
PSA：0.00000
Density:0.881±0.06 g/cm3(Predicted)
LogP:0.00000
XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:3
Exact Mass:204.187800766
Heavy Atom Count:15
Complexity:304

Purity/Quality:: α-cis-Bergamotene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CCC2CC1C2(C)CCC=C(C)C
Isomeric SMILES:CC1=CC[C@H]2C[C@@H]1[C@@]2(C)CCC=C(C)C
Uses α-cis-Bergamotene can be extracted from Turkish citrus leaf and Schisandra chinensis seeds. It may be an antioxidant and antimicrobial agent.

Technology Process of alpha-CIS-BERGAMOTENE

There total 4 articles about alpha-CIS-BERGAMOTENE 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: 55.0%

: 13474-59-4,14087-02-6,17699-05-7,17829-53-7,18252-46-5,23971-87-1,35334-58-8,64727-43-1
trans-α-bergamotene

Guidance literature:: With hydrogen iodide; In benzene; for 1h;
DOI:10.1021/jo00254a017

Reference yield: 54.0%

: 55123-21-2
β-trans-bergamotene

: 13474-59-4,14087-02-6,17699-05-7,17829-53-7,18252-46-5,23971-87-1,35334-58-8,64727-43-1
trans-α-bergamotene

Guidance literature:: With hydrogen iodide; In benzene; for 2.5h;
DOI:10.1021/jo00254a017

Reference yield:

: 372-97-4,13058-04-3,25744-33-6,27248-37-9,27248-38-0,40716-68-5
farnesyl pyrophosphate

: 18794-84-8
(E)-β-farnesene

: 38738-45-3
racemic zingiberene

: 159407-35-9
7‐epi‐sesquithujene

: 1431636-59-7
sesquisabinene B

: 495-61-4
(S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene

: 72345-84-7
(+/-)-β-curcumene

: 1309585-05-4
(+)-(2S,6S,7S)-sesquithujene

: 53585-13-0
[E]-γ-bisabolene

: 13474-59-4,14087-02-6,17699-05-7,17829-53-7,18252-46-5,35334-58-8,64727-43-1,23971-87-1
trans‐α‐bergamotene

: 451-55-8
γ-curcumene

: sesquisabinene A

: 142-50-7,1119-38-6,2211-29-2,3790-78-1,7212-44-4,17430-12-5,35944-21-9,40716-66-3,53991-23-4,77171-59-6,132958-73-7,77551-75-8
(R)-(-)-trans-nerolidol

: 13474-59-4,14087-02-6,17699-05-7,17829-53-7,18252-46-5,23971-87-1,35334-58-8,64727-43-1
trans-α-bergamotene

Guidance literature:: With sodium tungstate; recombinant terpene synthases TPS₄-B₇₃ from Zea mays; sodium fluoride; magnesium chloride; In pentane; at 30 ℃; for 0.333333h; pH=7; Reagent/catalyst; Inert atmosphere; Enzymatic reaction;
DOI:10.1039/c4cc10395e