6-Methyl-3,5-heptadien-2-one

Base Information

• Chemical Name: 6-Methyl-3,5-heptadien-2-one
• CAS No.: 16647-04-4
• Molecular Formula: C8H12 O
• Molecular Weight: 124.183
• Hs Code.: 2914190090
• European Community (EC) Number: 216-507-7,865-146-7
• UNII: P7CMP2E76C
• Nikkaji Number: J195.217J,J435.355B,J100.508A
• Metabolomics Workbench ID: 5444
• Mol file: 16647-04-4.mol

Synonyms:6-METHYL-3,5-HEPTADIEN-2-ONE;1604-28-0;6-Methylhepta-3,5-dien-2-one;16647-04-4;(3E)-6-methylhepta-3,5-dien-2-one;(E)-6-Methyl-3,5-heptadien-2-one;3,5-Heptadien-2-one, 6-methyl-;2-methyl-2,4-heptadien-6-one;METHYL HEPTADIENONE;Methylheptadienone;3,5-Heptadien-2-one, 6-methyl-, (E)-;(E)-6-methylhepta-3,5-dien-2-one;6-Methyl-trans-3,5-heptadien-2-one;FEMA No. 3363;6-Methylhepta-3,5-diene-2-one;UNII-P7CMP2E76C;(E) 6-Methyl 3,5-heptadiene-2-one;P7CMP2E76C;6-Methyl-3,5-heptadien-2-one [FHFI];3,5-Heptadien-2-one, 6-methyl-, (3E)-;2-Methylhepta-2,4-dien-6-one;6-Methyl-3,5-heptadiene-2-one;6-Methyl-3E,5-heptadien-2-one;EINECS 216-507-7;(3E)-6-Methyl-3,5-heptadien-2-one;AI3-25071;6-Methyl-3,5-heptadienone-2;6-Methyl-hepta-3,5-diene-2-one;6-methyl-(E)-3,5-heptadien-2-one;SCHEMBL873402;(E)-6-Methyl-3,5-heptadienone;KSKXSFZGARKWOW-GQCTYLIASA-N;3,5-Heptadien-2-ona, 6-metil-;LMFA12000038;MFCD00043647;AKOS006228383;CS-W013522;(3Z)-6-Methyl-3,5-heptadien-2-one;AS-40180;6-Methyl-3,5-heptadien-2-one, AldrichCPR;6 - methylhepta - 3,5 - dien - 2 - one;EN300-7398122;J-009720

Chemical Property of 6-Methyl-3,5-heptadien-2-one

Chemical Property:

• Boiling Point: 45 °C(Press: 0.3 Torr)
• PSA: 17.07000
• Density: 0.857±0.06 g/cm3(Predicted)
• LogP: 2.09780
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

6-Methyl-3,5-heptadien-2-one 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC=CC(=O)C)C
• Isomeric SMILES: CC(=C/C=C/C(=O)C)C

Technology Process of 6-Methyl-3,5-heptadien-2-one

There total 48 articles about 6-Methyl-3,5-heptadien-2-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: 90.0%

6-methyl-3-heptyn-2-one (118893-61-1) → 6-methyl-3,5-heptadien-2-one (16647-04-4)

Guidance literature:

With IrH₅(P-(i-Pr)3)2; In benzene; at 80 ℃; for 24h;

DOI:10.1021/jo00266a021

Reference yield: 90.0%

6-methyl-1,2,5-heptatrien-4-ol (37981-74-1) → 6-methyl-3,5-heptadien-2-one (16647-04-4)

Guidance literature:

bis(acetylacetonato)dioxidomolybdenum(VI); In dichloromethane; at 25 ℃; for 0.166667h;

DOI:10.1246/bcsj.58.844

Reference yield: 72.0%

2-methyl-but-3-yn-2-ol (115-19-5) → 6-methyl-3,5-heptadien-2-one (16647-04-4)

Guidance literature:

upstream raw materials:

2-methyl-hepta-2,5t-dien-4-ol

1,1-dimethyl-2-propynyl-3-oxobutanoate

ethyl acetoacetate

2-methyl-but-3-yn-2-ol

Downstream raw materials:

6-Methyl-hept-5-en-2-on

6-methylheptan-2-one

1-(1,5-dimethyl-4-hexenyl)-4-methoxy-1,4-cyclohexadiene

ar-curcumene