4-Methylacetophenone (p-)
4'-Methylacetophenone
CAS: 122-00-9
Molecular Formula: C9H10O
4-Methylacetophenone (p-) - Names and Identifiers
| Name | 4'-Methylacetophenone |
| Synonyms | Melilot Esberiven Melilotal Sweet clover Yellow melilot p-Acetotoluene 4-Acetyltoluene Photoinitiator-4MAP 1-(p-tolyl)ethanone p-Methylacetophenone 4-Methylacetophenone 4'-Methylacetophenone methyl p-tolyl ketone 4-Methyl Acetophenone 1-Methyl-4-acetylbenzen 1-Acetyl-4-methylbenzene Acetophenone, 4'-methyl- 4-Methylacetophenone (p-) 1-(4-methylphenyl)ethanone Ethanone,1-(4-methylphenyl)- |
| CAS | 122-00-9 |
| EINECS | 204-514-8 |
| InChI | InChI=1/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3 |
| InChIKey | GNKZMNRKLCTJAY-UHFFFAOYSA-N |
4-Methylacetophenone (p-) - Physico-chemical Properties
| Molecular Formula | C9H10O |
| Molar Mass | 134.18 |
| Density | 1.004 g/mL at 20 °C1.005 g/mL at 25 °C (lit.) |
| Melting Point | 22-24 °C (lit.) |
| Boling Point | 226 °C (lit.) |
| Flash Point | 198°F |
| JECFA Number | 807 |
| Water Solubility | 0.37 g/L (15 ºC) |
| Solubility | 2.07g/l |
| Vapor Presure | 0.52 hPa (25 °C) |
| Appearance | Liquid |
| Color | Clear colorless to pale yellow |
| BRN | 606053 |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1.00%(V) |
| Refractive Index | n20/D 1.533(lit.) |
| Physical and Chemical Properties | Density 1.005 melting point 22-24°C boiling point 226°C refractive index 1.532-1.535 flash point 92°C water-soluble 0.37g/L (15°C) |
| Use | Used as an intermediate in spices, herbicides and in organic synthesis |
4-Methylacetophenone (p-) - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27 - Take off immediately all contaminated clothing. S37/39 - Wear suitable gloves and eye/face protection S24/25 - Avoid contact with skin and eyes. S23 - Do not breathe vapour. S36 - Wear suitable protective clothing. |
| UN IDs | UN 1325 4.1/PG 2 |
| WGK Germany | 3 |
| RTECS | AM9463000 |
| TSCA | Yes |
| HS Code | 29143900 |
| Toxicity | LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
4-Methylacetophenone (p-) - Reference Information
| FEMA | 2677 | 4'-METHYLACETOPHENONE |
| LogP | 2.1 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | p-methoxyacetophenone is an aromatic compound with sweet, fruit, nut and vanilla-like aromas. In addition, P-methoxyacetophenone sometimes tastes like butter or caramel. At room temperature, P-methoxyacetophenone was a solid with white yellowish crystals. When melted, white crystals will become transparent liquid. The compounds are used as cigarette additives, flavors and added in food flavoring. P-methoxyacetophenone can be found in the natural nutriby (glandular exudates of beavers). P-methoxyacetophenone can be synthesized from anisole and acetyl chloride by the Friedel-Crafts reaction. |
| content analysis | determined according to method one (hydroxylamine method) in the aldehyde and ketone assay (OT-7). Take 1g of the sample. The equivalence factor (e) in the calculation is taken as 67.09. Or according to Gas chromatography (GT-10-4) using non-polar column method. |
| toxicity | ADI 1 mg/kg(CE). LD50 1400 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drinks 1.1; Cold drinks 1.6; Candy 5.2; Baked goods 4.9; pectin sugar 870; Condiment 5.8; Marais golden cherry 8.0. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760 1996 specifies the permitted use of flavorants. Mainly used in the preparation of almonds, nuts, cherries, spices and strawberry flavor. used as an intermediate of spices, herbicides and in organic synthesis used in shaming flowers, hawthorn flowers, Acacia, Robinia pseudoacacia, Primrose, sunflower, Hyacinthus orientalis, clove, Lily, aucklandia, moss and other types. It can be used with coumarin, anisaldehyde and Jasmine in the soap of lavender, vanilla, suxinlan and new Humulus. Can be used in trace amounts of almond, vanilla bean flavor, can also be used in a small amount of tobacco flavor. This product has a fragrance similar to the flower of the mountain check, and has a fragrance like alfalfa, honey, strawberry, and the flower fruit is sharp and sweet. Can be used for the preparation of Acacia type soap with clove type essence, can also be used as fruit food essence. |
| production method | prepared by the acetylation reaction of toluene and acetic anhydride in the presence of anhydrous aluminum trichloride. Dry toluene and powdered anhydrous aluminum trichloride were added to the reaction pot, acetic anhydride was added dropwise with stirring, the temperature was gradually increased to 90 ° C., and a large amount of hydrogen chloride gas was released from the reaction. The reaction was carried out until no more hydrogen chloride gas was generated. The reaction mixture was cooled to room temperature, poured into a mixture of crushed ice and concentrated hydrochloric acid, and stirred until the aluminum salt was completely dissolved. The toluene layer was separated, washed with water, washed with 10% sodium hydroxide solution until alkaline, and then washed with water. After drying over anhydrous magnesium sulfate and distillation under reduced pressure, a fraction of 93-94 ° C. (0.93kPa) was collected to obtain p-methyl acetophenone in a yield of 86%. An improved method is to combine equimolar amounts of aluminum trichloride with acetyl chloride (or acetic anhydride) by standing under heating, and to add Dropwise toluene dissolved in carbon disulfide. Calculated as acetyl chloride, the weight yield was 110%. can be obtained from the essential oil free: first made into urethane, then 10% oxalic acid aqueous solution decomposition by steam distillation to obtain pure product. Obtained by the reaction of acetyl chloride, toluene and aluminum trichloride. |
Last Update：2024-04-09 19:05:07
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