

Acetophenone CAS 98-86-2, acetophenone, CAS 98-86-2
Benzyl ketone, also known as acetylbenzene, has a boiling point of (℃): 202.3, a relative density (water = 1): 1.03 at 20℃, and a relative vapor density (air = 1): 4.14.
CAS : 98-86-2
Formula : C8H8O
Mol. wt. : 120.15
EINECS : 202-708-7
| CAS | 98-86-2 |
| Molecular formula | C8H8O |
| Molecular weight | 120.15 |
| EIENCS | 202-708-7 |
| Form | Liquid |
| Melting point | 19-20 °C (lit.) |
| boling point | 202 °C (lit.) |
| Density | 1.03 g/mL at 25 °C (lit.) |
| Solubility | 6.1g/l |
| PKA | / |
| Color | Transparent and colorless to light yellow |
| Storage temp | Store below +30°C. |
Benzyl ketone, also known as acetylbenzene, has a boiling point of (℃): 202.3, a relative density (water = 1): 1.03 at 20℃, and a relative vapor density (air = 1): 4.14. It is the simplest aromatic ketone, with the aromatic nucleus (benzene ring) directly connected to the carbonyl group. It exists in a free state in some plant essential oils. The pure substance is a colorless crystal. The commercial products are mostly light yellow oily liquids. It has a scent like that of a raspberry. It is slightly soluble in water and easily soluble in various organic solvents, and can volatilize together with the vapor. The molecular structure of benzyl ketone: The methyl C atom forms a bond with sp3 hybridized orbitals, and the benzene ring and the carbonyl C atom form a bond with sp2 hybridized orbitals. Benzyl ketone can undergo addition reactions with carbonyl groups, reactions with α active hydrogen, and also undergo electrophilic substitution reactions on the benzene ring, mainly generating ortho products. Benzyl ketone can be produced from benzene and acetyl chloride, acetic anhydride, or acetic acid under the catalysis of trichloroaluminum. Additionally, when ethylbenzene is catalytically oxidized to styrene, benzyl ketone is a by-product. Benzyl ketone is mainly used as a raw material for pharmaceuticals and other organic synthesis, and is also used for preparing fragrances. It is used in making soap and cigarettes, and can be used as a solvent for cellulose ethers, cellulose esters, and resins, as well as a plasticizer for plastics. It has hypnotic properties. Currently, benzyl ketone is mostly obtained as a by-product from the oxidation of isopropylbenzene to phenol and acetone. It can also be prepared by acetylation of benzene with acetyl chloride.
B 2760--1996 specifies the permitted food flavors. It is mainly used for preparing flavors of various fruits (such as grapes and cherries), as well as tobacco flavors.
It is also used as a solvent and extractant, and is also employed in the pharmaceutical industry.
Used as a solvent and as a catalyst for olefin polymerization, it is also employed in the production of fragrances, etc.
Used as a solvent and as a catalyst for olefin polymerization, it is also employed in the production of fragrances, etc.
When used as a solvent, benzyl acetone has the characteristics of high boiling point, stability and pleasant odor. Its solubility is similar to that of cyclohexanone and it can dissolve nitrocellulose, cellulose acetate, ethylene resin, coumarin resin, alkyd resin, glycerol alkyd resin, etc. It is often mixed with ethanol, ketones, esters and other solvents from Chemicalbook. When used as a fragrance, it is a blending raw material for fragrances such as raspberry, mimosa and lilac, and is widely used in soap fragrances and tobacco fragrances. It is also used for synthesizing benzyl alcohol acid, α-phenylindole, isobutyl cinnamic acid, etc., and is also used as a plastic plasticizer. It is also a catalyst for olefin polymerization, an extraction agent, a light sensitizer, an organic synthesis reagent.
Toxicity classification Poisoning
Acute toxicity
Oral - Rat LD50: 815 milligrams/kg; Oral - Mouse LD50: 740 milligrams/kg
Stimulation data
Skin - Chemicalbook rabbit 515 milligrams, mild; Eyes - Rabbit 0.75 milligrams, severe
Flammability hazard characteristics
Combustible when exposed to open flame, high temperature, and strong oxidants; Heating decomposition releases irritating smoke
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