4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butanoate
4,4-Dimethylcyclohexanone
CAS: 4255-62-3
Molecular Formula: C8H14O
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butanoate - Names and Identifiers
| Name | 4,4-Dimethylcyclohexanone |
| Synonyms | BB_SC-5119 BAS 08748190 4,4-Dimethylcyclohexanone Cyclohexanone, 4,4-dimethyl- 4 4-DIMETHYLCYCLOHEXANONE 97 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-keto-butyric acid 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutanoate 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butanoate |
| CAS | 4255-62-3 |
| EINECS | 626-769-8 |
| InChI | InChI=1/C8H14O/c1-8(2)5-3-7(9)4-6-8/h3-6H2,1-2H3 |
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butanoate - Physico-chemical Properties
| Molecular Formula | C8H14O |
| Molar Mass | 126.2 |
| Density | 0.892±0.06 g/cm3 (20 ºC 760 Torr) |
| Melting Point | 41-45 °C |
| Boling Point | 105-106℃ (80 Torr) |
| Flash Point | 137°F |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 1.457mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Almost white |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.46442 (22.45℃) |
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butanoate - Risk and Safety
| Risk Codes | R11 - Highly Flammable R36 - Irritating to the eyes |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 1325 4.1/PG 2 |
| WGK Germany | 2 |
| HS Code | 29142990 |
| Hazard Class | 4.1 |
| Packing Group | Ⅱ |
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butanoate - Introduction
4,4-Dimethylcyclohexanone is an organic compound with the chemical formula C8H14O.
Its properties are as follows:
Appearance: colorless liquid
Density: 0.91g/cm³
Boiling point: 177-178 ℃
Flash point: 61 ℃
Solubility: Soluble in alcohol, ether, ester and other organic solvents, insoluble in water.
4,4-Dimethylcyclohexanone has many uses in industry:
1. As an intermediate in organic synthesis, it can be used to prepare a variety of organic compounds, such as biologically active substances, dyes, resins, etc.
2. As a solvent and extractant, it has certain applications in the chemical and pharmaceutical industries.
3. used as a precursor of synthetic fragrance.
There are many methods for preparing 4,4-Dimethylcyclohexanone, the common ones include the following:
1. Acid-catalyzed reaction of cyclohexanone: Through the acid-catalyzed heating reaction of cyclohexanone, a methyl group is introduced into its molecule to generate 4,4-Dimethylcyclohexanone.
2. cyclohexene oxidation method: cyclohexene is first converted into cyclohexanone by oxidation reaction, and then cyclohexanone is methylated to prepare 4,4-Dimethylcyclohexanone.
About safety information:
4,4-Dimethylcyclohexanone is an irritating compound that may cause irritation on contact with the skin or by inhalation. It is necessary to pay attention to protective measures during use and storage, such as wearing protective gloves, goggles and masks. Contact with fire sources should be avoided to avoid fire or explosion. Please read the relevant safety data sheet before use.
Its properties are as follows:
Appearance: colorless liquid
Density: 0.91g/cm³
Boiling point: 177-178 ℃
Flash point: 61 ℃
Solubility: Soluble in alcohol, ether, ester and other organic solvents, insoluble in water.
4,4-Dimethylcyclohexanone has many uses in industry:
1. As an intermediate in organic synthesis, it can be used to prepare a variety of organic compounds, such as biologically active substances, dyes, resins, etc.
2. As a solvent and extractant, it has certain applications in the chemical and pharmaceutical industries.
3. used as a precursor of synthetic fragrance.
There are many methods for preparing 4,4-Dimethylcyclohexanone, the common ones include the following:
1. Acid-catalyzed reaction of cyclohexanone: Through the acid-catalyzed heating reaction of cyclohexanone, a methyl group is introduced into its molecule to generate 4,4-Dimethylcyclohexanone.
2. cyclohexene oxidation method: cyclohexene is first converted into cyclohexanone by oxidation reaction, and then cyclohexanone is methylated to prepare 4,4-Dimethylcyclohexanone.
About safety information:
4,4-Dimethylcyclohexanone is an irritating compound that may cause irritation on contact with the skin or by inhalation. It is necessary to pay attention to protective measures during use and storage, such as wearing protective gloves, goggles and masks. Contact with fire sources should be avoided to avoid fire or explosion. Please read the relevant safety data sheet before use.
Last Update：2024-04-10 22:29:15
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