93-55-0

Basic information

• Product Name: Propiophenone
• Synonyms: 1-phenyl-1-propanon;1-phenyl-propan-1-one;1-phenylpropanone;1-phenylpropanone-1;1-Propanone,1-phenyl-;Ketone, ethyl phenyl;ketone,ethylphenyl;lithylphenyllwton
• CAS NO: 93-55-0
• Molecular Formula: C₉H₁₀O
• Molecular Weight: 134.18
• EINECS: 202-257-6
• Product Categories: Organics;API intermediates;Building Blocks;C9;Carbonyl Compounds;Chemical Synthesis;Ketones;Organic Building Blocks;ketone;Purines
• Mol File: 93-55-0.mol
• Article Data: 903

Chemical Properties

• Melting Point: 17-19 °C(lit.)
• Boiling Point: 218 °C(lit.)
• Flash Point: 190 °F
• Appearance: Clear colorless to light yellow/Liquid
• Density: 1.009 g/mL at 25 °C(lit.)
• Vapor Pressure: 1 mm Hg ( 50 °C)
• Refractive Index: n20/D 1.526(lit.)
• Storage Temp.: Store below +30°C.
• Solubility: Difficult to mix.
• Water Solubility: INSOLUBLE
• Stability: Stable. Incompatible with strong oxidizing agents, strong bases.
• Merck: 14,7830
• BRN: 606215
• CAS DataBase Reference: Propiophenone(CAS DataBase Reference)
• NIST Chemistry Reference: Propiophenone(93-55-0)
• EPA Substance Registry System: Propiophenone(93-55-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 2
• RTECS: UG7175000
• TSCA: Yes
• Hazardous Substances Data: 93-55-0(Hazardous Substances Data)

Usage

Chemical Description

Propiophenone is a ketone with the chemical formula C9H10O.

Description

Propiophenone, an aromatic ketone with the chemical formula C6H5C(O)CH2CH3, is a colorless to light yellow liquid with a strong, flowery odor. It belongs to the family of acetophenones and is naturally found in various food products such as coffee, roasted filberts, roasted peanuts, roasted green tea, and some cheeses. Propiophenone is a versatile intermediate in the synthesis of organic compounds and pharmaceuticals, including ephedrine, its derivatives, and nervous system drugs.

Uses

Used in Pharmaceutical Industry:
Propiophenone is used as an intermediate in the synthesis of various pharmaceutical compounds, including ephedrine, its derivatives (cathinone and methcathinone), and nervous system drugs such as anxiolytic and hypnotic drugs. Its presence in these medications is due to its ability to act as a precursor in the production process.
Used in Perfumery:
Propiophenone is used as a component in some perfumes due to its naturally pleasant flowery odor. Its aromatic properties make it a valuable addition to fragrance formulations, enhancing the overall scent profile.
Used in Organic Compounds Synthesis:
Propiophenone serves as an intermediate in the preparation of other organic compounds, such as synthetic aryl alkenes like cinnamic acids. Its versatility in chemical reactions allows it to be a key component in the synthesis of various organic molecules.
Used in Liquid Crystals Industry:
Propiophenone is used as an intermediate for the production of liquid crystals, which are essential in the manufacturing of display devices such as televisions, computer monitors, and smartphones.
Occurrence:
Propiophenone is reported to be found in various food items, including coffee, roasted filberts, roasted peanuts, roasted green tea, Camembert cheese, black tea, roasted macadamia nut, tamarind, dried bonito, cherimoya, and sapodilla fruit. Its presence in these products contributes to their unique and appealing flavors and aromas.

References

https://en.wikipedia.org/wiki/Propiophenone https://pubchem.ncbi.nlm.nih.gov/compound/7148#section=Top http://www.chemicalland21.com/industrialchem/organic/PROPIOPHENONE.htm https://www.alfa.com/en/catalog/A15140/

Production Methods

Propiophenone is produced by the Friedel–Crafts acylation of benzene with propionic acid chloride in the presence of aluminum chloride. It may also be produced by the reaction of benzoic acid and propionic acid using a calcium acetate– aluminum oxide catalyst.

Synthesis Reference(s)

The Journal of Organic Chemistry, 60, p. 2430, 1995 DOI: 10.1021/jo00113a024Tetrahedron Letters, 30, p. 4819, 1989 DOI: 10.1016/S0040-4039(01)80517-7

Flammability and Explosibility

Notclassified

Safety Profile

Poison by intraperitoneal route. Moderately toxic by subcutaneous route. Mildly toxic by ingestion and skin contact. A skin and eye irritant. A flammable liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.

InChI:InChI=1/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

Upstream product

• 1117-96-0 Diazoethan 
• 60-29-7 diethyl ether 
• 100-52-7 benzaldehyde 
• 110-86-1 pyridine 
• 93-54-9 1-Phenyl-1-propanol 
• 71-43-2 benzene 
• 79-15-2 N-bromoacetamide 
• 873-67-6 benzonitrile oxide 
• 85-44-9 phthalic anhydride 
• 802294-64-0 propionic acid 
• 1846-29-3 1,3-diphenyl-2-methylpropane-1,3-dione 
• 64-17-5 ethanol 
• 93-89-0 benzoic acid ethyl ester 
• 4747-13-1 α-methoxystyrene 

Downstream Products

• 2832-98-6 3-morpholino-1-phenyl-3-thioxo-1-propanone 
• 86123-43-5 benzoic acid-(1-phenyl-2-[4]pyridyl-propenyl ester) 
• 57644-93-6 1-(1-methyl-2-oxo-2-phenyl-ethyl)-pyridinium; iodide 
• 52100-47-7 α-ethyl-α-phenyl-2-pyridinemethanol 
• 107552-41-0 NSC-42813 
• 195371-52-9 Z₃ 
• 112949-12-9 2-methyl-1-phenyl-4-[4]pyridyl-butan-1-one 
• 113058-58-5 2-methyl-1-phenyl-4-[4]pyridyl-2-(2-[4]pyridyl-ethyl)-butan-1-one 
• 5325-67-7 3-hydroxy-2-methyl-1-phenyl-3-pyridin-2-yl-propan-1-one 
• 101938-26-5 2-phenyl-1-pyrazinyl-butan-2-ol 
• 98065-14-6 1-(1-phenyl-propyl)-piperidine 
• 101733-88-4 4-benzoxazol-2-yl-2-methyl-1-phenyl-butan-1-one 
• 103041-64-1 2-methyl-isonicotinic acid-(1-phenyl-propylidenehydrazide) 
• 19153-12-9 6-methyl-7-phenyl-pteridine-2,4-diyldiamine 

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