1-Methyl-1-cyclopenten-3-one
3-Methyl-2-cyclopenten-1-one
CAS: 2758-18-1
Molecular Formula: C6H8O
1-Methyl-1-cyclopenten-3-one - Names and Identifiers
1-Methyl-1-cyclopenten-3-one - Physico-chemical Properties
| Molecular Formula | C6H8O |
| Molar Mass | 96.13 |
| Density | 0.980 g/mL at 20 °C0.971 g/mL at 25 °C (lit.) |
| Melting Point | 3-5 °C (lit.) |
| Boling Point | 74 °C/15 mmHg (lit.) |
| Flash Point | 150°F |
| JECFA Number | 1105 |
| Water Solubility | miscible |
| Vapor Presure | 2.74mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear light yellow to yellow-brown |
| BRN | 1280476 |
| PH | 4.9 (10g/l, H2O, 20℃) |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.488(lit.) |
1-Methyl-1-cyclopenten-3-one - Risk and Safety
| Risk Codes | 36/38 - Irritating to eyes and skin. |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| UN IDs | 1224 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29142900 |
| Packing Group | III |
1-Methyl-1-cyclopenten-3-one - Reference Information
| FEMA | 3435 | 1-METHYL-1-CYCLOPENTEN-3-ONE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | 3-methyl-2-cyclopenten-1-one is a pale yellow to yellowish brown transparent liquid with a sweet caramel fragrance. It can be used as a perfume and pharmaceutical intermediate, and can synthesize a variety of medicinal substances, including trichothecene toxins, adrenocorticoids, etc. 3-Methyl-2-cyclopentene-1-one is also a precursor of a variety of substituted cyclopentadiene. Substituted cyclopentadiene can react with a variety of metals to form diocene metal complexes, such substances It is an important catalyst for olefin polymerization. |
| Use | 3-methyl-2-cyclopenten-1-one can also be used as a gasoline additive in the petrochemical industry, such as it can be hydrogenated The methylcyclopentane that can be generated has a high octane number and energy density, and can be used as a good substitute for ethanol gasoline. |
| preparation | add deionized water (300mL,2.5vol) to 2,5-hexandione (120.0g), stir evenly, and record as solution a. Add deionized water (400mL) to sodium hydroxide (100.0g), stir evenly, and record it as solution B (I .e. 20% sodium hydroxide aqueous solution). Install a coil and tube reactor and place it in an oil bath with an external temperature rise to 125°C. Immerse the suction ports of the plunger pump 1 (hereinafter referred to as pump 1) and the plunger pump 2 (hereinafter referred to as pump 2) under the liquid level of solution A and solution B respectively. Set the flow rates of pump 1 and pump 2 to be 12.0 mL/min, open the two pumps at the same time, and inject solution A and solution B into the reactor from the two feed ports of the reactor for reaction. The effluent from the outlet of the reactor is collected into a 250mL four-mouth bottle and cooled in an external bath at 0~5 ℃. After receiving the reaction solution for 5min, the reaction was stopped and sampled. GC analysis was performed after extraction with ethyl acetate, which was 3-methyl-2-cyclopenten-1-one. The molar ratio of sodium hydroxide to 2, 5-hexandione is 2.1:1. |
| biological activity | 3-Methyl-2-cyclopenten-1-one is an endogenous metabolite. |
Last Update：2024-04-09 21:01:54
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