4-Penten-2-one, 4-methyl-

Base Information

• Chemical Name: 4-Penten-2-one, 4-methyl-
• CAS No.: 3744-02-3
• Molecular Formula: C6H10 O
• Molecular Weight: 98.1448
• Hs Code.: 2914190090
• UNII: P549RW6459
• DSSTox Substance ID: DTXSID4073966
• Nikkaji Number: J121.791G
• Wikidata: Q27286189
• Metabolomics Workbench ID: 44955
• Mol file: 3744-02-3.mol

Synonyms:4-methylpent-4-en-2-one;4-Penten-2-one, 4-methyl-;3744-02-3;4-Methyl-4-penten-2-one;ISOMESITYL OXIDE;Isopropenyl acetone;P549RW6459;Isopropenylacetone;3-Acetylisobutene;2-Methylene-4-pentanal;4-methyl-pent-4-en-2-one;DTXSID4073966;UNII-P549RW6459;CHEBI:173332;CH3C(O)CH2C(CH3)=CH2;AKOS017516565;AI3-24338;E77682;EN300-1856366;Q27286189

Chemical Property of 4-Penten-2-one, 4-methyl-

Chemical Property:

• Vapor Pressure: 15.4mmHg at 25°C
• Melting Point: -72.6°C
• Refractive Index: 1.4251 (estimate)
• Boiling Point: 80.8°Cat760mmHg
• Flash Point: °C
• PSA: 17.07000
• Density: g/cm³
• LogP: 1.54160
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 92.4

Purity/Quality:

98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CC(=O)C

Technology Process of 4-Penten-2-one, 4-methyl-

There total 9 articles about 4-Penten-2-one, 4-methyl- 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:

acetone (67-64-1) → 2-methylfuran (534-22-5) + 4-methyl-pent-3-en-2-one (141-79-7) + 2-hexen-4-yne (14092-20-7) + 2-methyl-1-penten-3-yne (926-55-6) + 4-methylpent-4-en-2-one (3744-02-3) + isobutene (115-11-7,15220-85-6) + prop-1-yne (74-99-7)

Guidance literature:

With silica gel; In water; at 594 - 612 ℃; for 1h; under 750.075 Torr; Reagent/catalyst; Inert atmosphere;

Reference yield:

acetone (67-64-1) → 3,5,5-Trimethylcyclohex-2-en-1-one (78-59-1) + 4-methyl-pent-3-en-2-one (141-79-7) + phorone (504-20-1) + 4-methylpent-4-en-2-one (3744-02-3) + 4,4-dimethylheptane-2,6-dione (16764-90-2)

Guidance literature:

With Zr-incorporated hydrotalcite; at 239.84 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.catcom.2010.03.014

Reference yield:

acetone (67-64-1) → 3,5,5-Trimethylcyclohex-2-en-1-one (78-59-1) + 4-methyl-pent-3-en-2-one (141-79-7) + 4-methylpent-4-en-2-one (3744-02-3)

Guidance literature:

With silica gel; at 400 ℃; under 57003.8 Torr; Pressure; Temperature; Autoclave;

DOI:10.1007/s11172-017-1760-5

upstream raw materials:

4-Hydroxy-4-methyl-2-pentanone

acetone

hexa-N-methyl-N,N'-propanediyl-di-ammonium; dihydroxyide

4-methyl-pent-3-en-2-one

Downstream raw materials:

3-benzyl-4-methyl-3-penten-2-one

3-Benzyl-4-methyl-4-penten-2-one

4-methyl-pent-4-en-2-one-(2,4-dinitro-phenylhydrazone)

2,5-dimethylhex-5-en-3-yn-2-ol

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