2-Cyclohexen-1-one, 2,5,6-trimethyl-

Base Information

• Chemical Name: 2-Cyclohexen-1-one, 2,5,6-trimethyl-
• CAS No.: 20030-30-2
• Molecular Formula: C9H14 O
• Molecular Weight: 138.21
• Hs Code.: 2914299000
• European Community (EC) Number: 243-473-0
• DSSTox Substance ID: DTXSID80885110
• Nikkaji Number: J280.425E
• Mol file: 20030-30-2.mol

Synonyms:2,5,6-Trimethylcyclohex-2-en-1-one;2-Cyclohexen-1-one, 2,5,6-trimethyl-;20030-30-2;2,5,6-Trimethyl-2-cyclohexen-1-one;EINECS 243-473-0;EC 243-473-0;SCHEMBL3679111;DTXSID80885110;2,3,6-trimethylcyclohex-5-en-1-one;2,3,6-trimethyl-cyclohex-5-en-1-one;2,5,6-trimethyl-cyclohex-2-en-1-one;2,5,6-trimethylcyclohex-2-en- 1-one;A905878;2,5,6 - trimethylcyclohex - 2 - en - 1 - one;W-109180

Chemical Property of 2-Cyclohexen-1-one, 2,5,6-trimethyl-

Chemical Property:

• Vapor Pressure: 0.286mmHg at 25°C
• Boiling Point: 202.9°Cat760mmHg
• Flash Point: 79°C
• PSA: 17.07000
• Density: 0.896g/cm³
• LogP: 2.17770
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 179

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC=C(C(=O)C1C)C

Technology Process of 2-Cyclohexen-1-one, 2,5,6-trimethyl-

There total 4 articles about 2-Cyclohexen-1-one, 2,5,6-trimethyl- 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: 47.0%

sodium hydroxide (1310-73-2) + acetaldol (107-89-1) + pentan-3-one (96-22-0) → 2,5,6-trimethyl-cyclohex-2en-1-one (20030-30-2)

Guidance literature:

In isopropyl alcohol;

Reference yield:

trans-Crotonaldehyde (123-73-9,4170-30-3) + pentan-3-one (96-22-0) → 2,5,6-trimethyl-cyclohex-2en-1-one (20030-30-2)

Guidance literature:

In methanol;

Reference yield:

ethyl 2-methyl-3-oxopentanoate (121811-29-8,138752-66-6,138752-69-9,759-66-0) + crotonaldehyde (123-73-9,4170-30-3) → 2,5,6-trimethyl-cyclohex-2en-1-one (20030-30-2)

Guidance literature:

Multistep reaction; (i) NaOH, EtOH, (ii) aq. KOH;

DOI:10.1246/bcsj.41.1228

upstream raw materials:

ethyl 2-methyl-3-oxopentanoate

crotonaldehyde

sodium hydroxide

acetaldol

Downstream raw materials:

6-[(⁽²⁾H₃)methyl]-2,5,6-trimethylcyclohex-2-en-1-one

2,3,6-trimethylcyclohexan-1-ol

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