Cyclotene

Base Information

• Chemical Name: Cyclotene
• CAS No.: 80-71-7
• Molecular Formula: C6H8O2
• Molecular Weight: 112.128
• Hs Code.: 29144090
• European Community (EC) Number: 201-303-2,685-298-6
• NSC Number: 133445,84226
• UNII: 627E92X64B
• DSSTox Substance ID: DTXSID4035128
• Nikkaji Number: J10.510D
• Wikipedia: 2-Hydroxy-3-methyl-2-cyclopenten-1-one
• Wikidata: Q25101336
• Mol file: 80-71-7.mol

Synonyms:2-hydroxy-1-methylcyclopenten-3-one;cyclotene

Chemical Property of Cyclotene

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0.978mmHg at 25°C
• Melting Point: 104-108 °C
• Refractive Index: 1.463
• Boiling Point: 245.2 °C at 760 mmHg
• PKA: 9.21±0.20(Predicted)
• Flash Point: 100.7 °C
• PSA: 37.30000
• Density: 1.225 g/cm³
• LogP: 1.18130
• Storage Temp.: Store at +2°C to +8°C.
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: soluble
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.052429494
• Heavy Atom Count: 8
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

2-Hydroxy-3-methyl-2-cyclopentenone >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37-24/25-22

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: CC1=C(C(=O)CC1)O
• Uses: Methyl Cyclopentenolone is a flavoring agent that is a white crys- talline powder. it has a nutty odor suggesting a maple-licorice aroma when diluted. it is soluble in alcohol and propylene glycol, slightly soluble in most fixed oils, and sparingly soluble in water. it is obtained by synthesis. it is also termed 3-methyl-cyclopentane-1,2-dione. Methyl cyclopentenolone may be used as an analytical reference standard for the quantification of the analyte in commercial products using different chromatography techniques.

Technology Process of Cyclotene

There total 35 articles about Cyclotene 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: 99.0%

1-hydroxyl-2,5-hexanedione (65313-46-4) → 2-hydroxy-3-methylcyclopent-2-en-1-one (80-71-7)

Guidance literature:

With sodium hydroxide; In water; at 60 ℃; for 2h; pH=11; Reagent/catalyst; pH-value; Temperature;

Reference yield: 90.0%

1,2-dimethyl-6-(2-methyl-5-oxo-cyclopent-1-enyloxy)-pyridinium; trifluoro-methanesulfonate → 1,6-dimethylpyridin-2(1H)-one (15031-43-3) + 2-hydroxy-3-methylcyclopent-2-en-1-one (80-71-7)

Guidance literature:

With sodium carbonate; In acetone; at 25 ℃; for 12h;

DOI:10.1016/S0040-4039(00)01691-9

Reference yield: 80.0%

C11H19NO2 → 2-hydroxy-3-methylcyclopent-2-en-1-one (80-71-7)

Guidance literature:

C₁₁H₁₉NO₂; With piperidine; pyridine; sodium hydroxide; In water; toluene; at 25 ℃; Reflux; Industrial scale;

With hydrogenchloride; acetic acid; In water; at 10 ℃; for 5h; Reflux; Industrial scale;

upstream raw materials:

2,3-epoxy-3-methylcyclopentanone

2-hydroxy-5-methylcyclopentanone

2-hydroxy-3-methylcyclopentanone

1-acetoxy-2,5-hexanedione

Downstream raw materials:

2-Methylcyclopentanone

2-methoxy-3-methylcyclopent-2-en-1-one

2-methoxy-5-methyl-cyclopent-2-enone

2-hydroxy-5-methyl-5-phenylcyclopent-2-en-1-one