Sesquicineole

Base Information

Chemical Name:Sesquicineole
CAS No.:90131-02-5
Molecular Formula:C₁₅H₂₆O
Molecular Weight:222.371
Hs Code.:
NSC Number:375093
DSSTox Substance ID:DTXSID301317574
Nikkaji Number:J945.903K
Wikidata:Q67880089
Metabolomics Workbench ID:47551

Synonyms:Sesquicineole;Sesquicineol;1,3-Dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]octane;90131-02-5;BISABOL-10-ENE,3,7-OXIDE;NSC375093;3,7-Epoxy-10-bisabolene;3,7-Oxido-10-bisabolene;BISABOL-10-ENE,7-OXIDE;DTXSID301317574;NSC-375093;Q67880089

Suppliers and Price of Sesquicineole

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
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price

Total 0 raw suppliers

Chemical Property of Sesquicineole

Chemical Property:

Vapor Pressure:0.007mmHg at 25°C
Boiling Point:279.284°C at 760 mmHg
Flash Point:119.424°C
Density:0.911g/cm³
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:222.198365449
Heavy Atom Count:16
Complexity:280

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=CCCC1(C2CCC(O1)(CC2)C)C)C

Technology Process of Sesquicineole

There total 2 articles about Sesquicineole 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: 80.0%

: 129080-75-7,129171-15-9
3-(4-Methyl-3-pentenyl)-1,3-dimethyl-2-oxabicyclo<2.2.2>octan-6-one

: 515-69-5,23089-26-1,23178-88-3,25428-43-7,72059-10-0,72691-24-8,76738-75-5,78148-59-1,123877-54-3,26560-22-5
bisabolol

: 84765-62-8,90131-02-5,135912-01-5,135912-02-6
sesquicineole

Guidance literature:: With potassium carbonate; hydrazine hydrate; In various solvent(s); Heating;
DOI:10.1016/S0040-4020(01)81519-2

Reference yield:

: 28450-02-4
2-acetyl-6-methyl-2,3-dihydropyran

: 84765-62-8,90131-02-5,135912-01-5,135912-02-6
sesquicineole

Guidance literature:: Multi-step reaction with 5 steps

1: 1) NaNH₂ / 1) ether, 45 min 2) ether, 24h, reflux

2: 1) NaH, EtOH, ethyl formate 2) mesyl azide / 1) ether a) 3.5h, -5 deg C b) 18h, 20 deg C 2) ether, 3.5d

3: 88 percent / K₂CO₃ / 2 / CH₂Cl₂ / 2 h / Ambient temperature

4: 1) Mg, Cu₂I₂ / 1) ether, THF, -25 deg C 2) a) -75 deg C, 30 min b) -5 deg C to 0 deg C, 4.5h

5: 80 percent / N₂H₄*H₂O, K₂CO₃ / various solvent(s) / Heating

With copper (I) iodide; ethanol; sodium hydride; potassium carbonate; hydrazine hydrate; sodium amide; magnesium; Methanesulfonyl azide; formic acid ethyl ester; dirhodium tetraacetate; In dichloromethane;
DOI:10.1016/S0040-4020(01)81519-2