104-20-1
4-(4-methoxyphenyl)butan-2-one
CAS: 104-20-1
Molecular Formula: C11H14O2
104-20-1 - Names and Identifiers
104-20-1 - Physico-chemical Properties
| Molecular Formula | C11H14O2 |
| Molar Mass | 178.23 |
| Density | 1.046 g/mL at 25 °C (lit.) |
| Melting Point | 8 °C (lit.) |
| Boling Point | 152-153 °C/15 mmHg (lit.) |
| Flash Point | >230°F |
| JECFA Number | 818 |
| Water Solubility | Not miscible in water. |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 9-2000Pa at 20-115℃ |
| Appearance | Oil |
| Color | A colourless oily liquid with a sweet floral odour |
| BRN | 1869592 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.519(lit.) |
| Physical and Chemical Properties | Melting point 8 °c. Boiling point 152-153 ℃/2.0kPa, 87-89 ℃/3Pa, relative density 1.046, refractive index 1.5200, flash point> 110 ℃. |
104-20-1 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | EL9085500 |
| TSCA | Yes |
| HS Code | 29145090 |
| Toxicity | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Russell, 1973) |
104-20-1 - Reference Information
| FEMA | 2672 | 4-(P-METHOXYPHENYL)-2-BUTANONE |
| LogP | 2 at 23.1℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Overview | 4-(4-methoxyphenyl)-2-butanone can be used for the preparation of 4-p-hydroxyphenyl-2-butanone, 4-p-hydroxyphenyl-2-butanone also known as raspberry ketone, Rubus ketone, raspberry ketone (rbberryketone), discovered by Nomura et al., Japan, in 1918, it was identified as the main aroma substance in raspberry in 1957. |
| preparation | 4-(4-methoxyphenyl) 2-butanone can be prepared from p-methoxybenzaldehyde by a four-step reaction. |
| Application | anisidyl acetone is a colorless to yellowish oily liquid with flower and fruit aroma. It is a pharmaceutical dobutamine intermediates, is now mainly used as spices, used to prepare a variety of fruit-based flavor, used in soft drinks, cold drinks, candy, baked goods, pudding foods, is a relatively high-grade spices. China's market demand for this product is increasing, and it is necessary to carry out research and development of this product. |
| synthesis | phenol is susceptible to methylation reaction in sodium hydroxide solution. Phenol is used to react with a slight excess of fresh industrial dimethyl sulfate, the yield of anisole can reach 90%, higher than that of the literature. After many experiments, it is found that the key point of the process is to slowly raise the temperature after dropping dimethyl sulfate at low temperature, and keep the temperature at about 40 ℃ for a period of time, otherwise, the yield of anisole is generally only 75%-80%. The reaction of anisole and methyl ketene in the presence of aluminum trichloride is more intense and exothermic. Although benzene is also susceptible to reaction with methyl ketene (at 0-40 ° C. The yield of the product, acetophenone, is about 70%), anisole is more reactive than benzene and readily reacts. |
| Use | dobutamine intermediate. An attractant for insects (e. G. |
Last Update：2024-04-09 21:04:16
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CAS: 104-20-1
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