1-[3-Methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-YL]ethan-1-one

Base Information

• Chemical Name: 1-[3-Methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-YL]ethan-1-one
• CAS No.: 73019-21-3
• Molecular Formula: C₁₄H₂₂O
• Molecular Weight: 206.328
• European Community (EC) Number: 277-236-8
• DSSTox Substance ID: DTXSID20888362
• Nikkaji Number: J309.232A
• Mol file: 73019-21-3.mol

Synonyms:73019-21-3;1-[3-METHYL-2-(3-METHYL-2-BUTENYL)-3-CYCLOHEXEN-1-YL]ETHAN-1-ONE;EINECS 277-236-8;Ethanone, 1-(3-methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-yl)-;Ethanone, 1-[3-methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-yl]-;2-(3-Methyl-2-(3-methyl-2-butene-1-yl)-3-cyclohexen-1-yl)ethan-2-one;Ethanone, 1-(3-methyl-2-(3-methyl-2-buten-1-yl)-3-cyclohexen-1-yl)-;1-(3-Methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-yl)ethan-1-one;Ethanone, 1-[3-methyl-2-(3-methyl-2-buten-1-yl)-3-cyclohexen-1-yl]-;DTXSID20888362;1-[3-Methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-yl]ethanone

Chemical Property of 1-[3-Methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-YL]ethan-1-one

Chemical Property:

• Vapor Pressure: 0.00294mmHg at 25°C
• Boiling Point: 284.6°Cat760mmHg
• Flash Point: 114.4°C
• PSA: 17.07000
• Density: 0.899g/cm³
• LogP: 3.90420
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 206.167065321
• Heavy Atom Count: 15
• Complexity: 293

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC(C1CC=C(C)C)C(=O)C

Technology Process of 1-[3-Methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-YL]ethan-1-one

There total 5 articles about 1-[3-Methyl-2-(3-methyl-2-butenyl)-3-cyclohexen-1-YL]ethan-1-one 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:

trans ocimene (3779-61-1,1856-63-9) + methyl vinyl ketone (78-94-4,25038-87-3) → methyl cis-4-methyl-5-(3'-methyl-2'-butenyl)-3-cyclohexenyl ketone (72928-23-5) + methyl trans-4-methyl-5-(3'-methyl-2'-butenyl)-3-cyclohexenyl ketone (72928-23-5) + methyl cis-3-methyl-2-(3'-methyl-2'-butenyl)-3-cyclohexenyl ketone (73019-21-3) + methyl trans-3-methyl-2-(3'-methyl-2'-butenyl)-3-cyclohexenyl ketone (73019-21-3)

Guidance literature:

In xylene; at 110 - 120 ℃; for 72h; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1002/hlca.19840670503

Reference yield:

trans ocimene (3779-61-1,1856-63-9) + methyl vinyl ketone (78-94-4,25038-87-3) → methyl cis-4-methyl-5-(3'-methyl-2'-butenyl)-3-cyclohexenyl ketone (72928-23-5) + methyl trans-4-methyl-5-(3'-methyl-2'-butenyl)-3-cyclohexenyl ketone (72928-23-5) + methyl cis-3-methyl-2-(3'-methyl-2'-butenyl)-3-cyclohexenyl ketone (73019-21-3) + methyl trans-3-methyl-2-(3'-methyl-2'-butenyl)-3-cyclohexenyl ketone (73019-21-3)

Guidance literature:

In xylene; at 110 - 120 ℃; for 72h; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1002/hlca.19840670503

Reference yield:

trans ocimene (3779-61-1,1856-63-9) + methyl vinyl ketone (78-94-4,25038-87-3) → 4,t-5-dimethyl-c-2-(2'-methyl-1'-propenyl)-3-cyclohexen-r-1-yl methyl ketone + 4,5β-dimethyl-2β-(2-methyl-1-propenyl)-1β-acetylcyclohex-3-ene + 4,5β-dimethyl-2β-(2-methyl-1-propenyl)-1α-acetyl-3-cyclohexene + methyl cis-3-methyl-2-(3'-methyl-2'-butenyl)-3-cyclohexenyl ketone (73019-21-3)

Guidance literature:

In xylene; at 110 - 120 ℃; for 72h; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1002/hlca.19840670503

upstream raw materials:

trans ocimene

methyl vinyl ketone

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