Propiophenone is an adaptable organic intermediate that combines aromatic character with useful ketone reactivity for a wide range of synthetic processes.
Propiophenone is frequently selected for routes requiring reliable functional-group transformation, chain modification, or the construction of more elaborate aromatic molecules.
Propiophenone's versatility supports continued use in fine chemicals, pharmaceutical intermediates, fragrance ingredients, and specialty synthesis.
CAS Number: 93-55-0
EC Number: 202-257-6
Molecular Formula: C9H10O
Molecular Weight: 134.18 g/mol
Synonyms: 1-Phenyl-1-propanone, RefChem:1056285, Propiophenone, 93-55-0, 1-phenylpropan-1-one, Ethyl phenyl ketone, Propionylbenzene, PHENYL ETHYL KETONE, 1-Propanone, 1-phenyl-, Ketone, ethyl phenyl, USAF EK-1235, Propionphenone, 1-Phenyl-propan-1-one, FEMA No. 3469, NSC 16937, 2-methyl-acetophenone, DTXSID2044470, MFCD00009309, E599A8OKQH, NSC-16937, 2-Methyl acetophenone, HSDB 1177, EINECS 202-257-6, UNII-E599A8OKQH, BRN 0606215, propiophenon, Benzoylethane, phenylethylketone, AI3-00951, FEMA 3469, 1-phenylpropanone, 3szb, methyl-acetophenone, Propiophenone, 99%, Bupropion Impurity 51, Propiophenone, >=99%, PROPIOPHENONE [MI], EC 202-257-6, WLN: 2VR, PROPIOPHENONE [FHFI], SCHEMBL76464, 4-07-00-00680 (Beilstein Handbook Reference), SCHEMBL301139, SCHEMBL301750, SCHEMBL318818, SCHEMBL687760, SCHEMBL989057, SCHEMBL989228, PROPIOPHENONE [WHO-DD], CHEMBL193446, SCHEMBL3273894, DTXCID0024470, CHEBI:425902, Propiophenone, analytical standard, PHENYL ETHYL KETONE [HSDB], ECA41923, EFA84887, NLA40096, NSC16937, SNA61099, Tox21_302025, SBB058853, AKOS000119030, EBC-612972, CAS-93-55-0, NCGC00255954-01, Propiophenone, purum, >=99.0% (GC), FP167274, VS-08588, 1-PROPANONE,1-PHENYL PROPIOPHENONE, NS00009925, P0519, ST50213456, 1-PROPANONE,1-PHENYL PROPIOPHENONE, EN300-19183, Propiophenone(Discontinued,See C4X-120351), Propiophenone, Vetec(TM) reagent grade, 99%, F094675, Q415446, F0001-2238, Z104473068, InChI=1/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H, 1-Phenyl-1-propanon, 1-Phenyl-1-propanone, 1-Phényl-1-propanone, 1-Phenyl-propan-1-one, 1-Phenylpropan-1-on, 1-phenylpropan-1-one, 1-Propanone, 1-phenyl-, 202-257-6, 93-55-0, benzoylethane, Ethyl phenyl ketone, Ketone, ethyl phenyl, Phenyl ethyl ketone, Propiophenone, 1-phenyl-1-<wbr/>propanone, 1-Phenyl-1-propanone, Ethyl phenyl ketone, 1-phenylpropanone, 1-PROPANONE,1-PHENYL PROPIOPHENONE, 1-PROPANONE,1-PHENYL PROPIOPHENONE, 1-Propanone-2,2-d2,1-phenyl-, 10 mg, 129848-87-9, 137-07-5, 18259-37-5, 2-methylacetophenone, 288400-96-4, 2VR, 342610-99-5, 4-07-00-00680, 54419-23-7, 683806-41-9, 97509-75-6, 99%, Cayman, Phenetol, Propio-2,2-d2-phenone, Propio-d5-phenone, Propionphenone, Propionylbenzene, Propiophenone-2′,3′,4′,5′,6′-d5, Propiophenone-d10, Propiophenone-d5, Propiophenone;Ethyl phenyl ketone
Propiophenone is an associate intermediate within the synthesis of prescription drugs and organic compounds.
Propiophenone also can be employed in the synthesis of aryl alkenes, like phenylpropanoids.
With a rhetorical odor, propiophenone may be a part of some perfumes.
Propiophenone serves as a critical aryl ketone intermediate in the API intermediates market for the high-volume synthesis of ephedrine, tamoxifen, and diversas muscle relaxants, requiring a pharma-grade purity of 99% to ensure stringent quality control.
Propiophenone is increasingly sought after by the flavor and fragrance industry for its herbaceous-floral profile, where a 98% purity grade is standard for bulk chemical supplier procurement to maintain consistent organoleptic properties in consumer products
Propiophenone is a key substrate for custom synthesis services and CDMO growth, particularly in the production of aryl alkenes and phenylpropanoids, reflecting a global sourcing shift toward high purity fine chemicals that meet evolving regulatory compliance standards.
Propiophenone, an aromatic ketone with the chemical formula C6H5C(O)CH2CH3, is a colorless to light yellow liquid with a strong, flowery odor.
Propiophenone 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.
Propiophenone is an aryl ketone used in the preparation of pharmaceutical and organic compounds.
Propiophenone is used in perfumes as well as in the preparation of neurochemical compounds such as ephedrines.
Propiophenone is an aryl ketone.
Propiophenone is a colorless, sweet-smelling liquid that is insoluble in water, but miscible with organic solvents.
Propiophenone is used in the preparation of other compounds.
Propiophenone is an aryl ketone used as an intermediate in the synthesis of organic compounds and pharmaceuticals.
Propiophenone is also used in the synthesis of aryl alkenes.
Ungraded products supplied by Spectrum are indicative of a grade suitable for general industrial use or research purposes and typically are not suitable for human consumption or therapeutic use.
Propiophenone is an intermediate in the synthesis of pharmaceuticals and organic compounds.
Propiophenone is used in the synthesis of ephedrine and propiophenone derivatives such as cathinone, and methcathinone.
Propiophenone can also be used in the synthesis of aryl alkenes.
Propiophenone is an aromatic ketone composed of a phenyl group attached to a three-carbon chain with a carbonyl group.
Propiophenone is primarily used as an intermediate in organic synthesis, especially for pharmaceuticals, fragrances, and fine chemicals.
Propiophenone is an aromatic ketone in which the two substituents on the carbonyl C atom are phenyl and ethyl.
Propiophenone has a role as a fragrance.
Propiophenone is an organic compound classified as an aromatic ketone, characterized by the presence of a phenyl group attached to a propanone structure.
Propiophenone's molecular formula is C9H10O, and it features a carbonyl group (C=O) flanked by a propyl chain and a phenyl ring.
Propiophenone is typically a colorless to pale yellow liquid with a sweet, floral odor, making it useful in the fragrance industry.
Propiophenone has moderate solubility in water but is more soluble in organic solvents such as ethanol and ether.
The compound is known for its role as an intermediate in organic synthesis and is utilized in the production of pharmaceuticals, agrochemicals, and other fine chemicals.
Propiophenone can undergo various chemical reactions, including oxidation and reduction, and is also used in photoinitiators for polymerization processes.
Propiophenone is an aromatic ketone consisting of a phenyl group attached to a propionyl group.
Propiophenone is commonly used as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, fragrances, agrochemicals, and specialty chemicals.
Propiophenone's carbonyl functionality makes it useful in reduction, oxidation, condensation, and carbon–carbon bond-forming reactions.
Uses of Propiophenone:
Propiophenone is an intermediate in the synthesis of the pharmaceuticals phenmetrazine and propoxyphen.
Other drugs made from propiophenone include the following: PDM-35, Eprazinone, Methcathinone (leading to ephedrine), Trimebutine, Amfepramone, Diphepanol, Metamfepramone, Etoxadrol, Hydroxyphenamate, Phendimetrazine, Iminophenimide, Bencisteine, Flumecinol, Pyrroliphene and Perisone.
In the Hoch-Campbell ethylenimine synthesis, a compound called 3-Methyl-2,2-diphenylaziridine [7764-13-8] was made.
Propiophenone is used in perfumery; to make ephedrine, other pharmaceuticals, and organic chemicals; as laboratory reagent.
Propiophenone is an intermediate in the synthesis of pharmaceuticals and organic compounds.
Propiophenone is used in the synthesis of ephedrine and propiophenone derivatives such as cathinone, and methcathinone.
Propiophenone can also be used in the synthesis of aryl alkenes.
Propiophenone is widely used as an intermediate in organic synthesis, especially in the preparation of pharmaceutical compounds, fine chemicals, fragrances, and specialty materials.
Propiophenone's aromatic ketone structure makes it useful for reactions such as reduction, oxidation, condensation, alkylation, and carbon–carbon bond formation, allowing the production of a broad range of substituted aromatic derivatives.
In pharmaceutical chemistry, propiophenone derivatives are employed as intermediates in the synthesis of active compounds and structurally complex molecules.
In the fragrance and flavor industries, propiophenone and selected derivatives may be used as building blocks for aromatic compositions and related specialty ingredients.
Propiophenone is also utilized in agrochemical synthesis for preparing intermediates used in crop-protection products and other functional organic compounds.
In research laboratories, propiophenone serves as a model aromatic ketone for studying reaction mechanisms, catalytic transformations, and synthetic methodology.
Propiophenone's carbonyl group can be converted into alcohols, oximes, hydrazones, alkenes, and other functional groups, making it a flexible starting material for multistep synthesis.
Propiophenone is also useful in the preparation of heterocyclic compounds and substituted benzene derivatives through controlled functionalization reactions.
This broad reactivity supports Propiophenone's use in fine chemical manufacturing, medicinal chemistry, material research, and the development of higher-value organic intermediates.
Organic Synthesis:
Propiophenone is used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and fragrance compounds.
Material Science:
Studied for potential applications in polymer chemistry and resin modification.
Analytical Chemistry:
Propiophenone is utilized as a standard and reagent in laboratory studies involving carbonyl chemistry.
Perfume and Aroma Industry:
Propiophenone is explored as a precursor in the preparation of fragrances due to its pleasant aromatic properties.
Production of Propiophenone:
Propiophenone can be prepared by Friedel–Crafts reaction of propanoyl chloride and benzene.
Propiophenone is also prepared commercially by ketonization of benzoic acid and propionic acid over calcium acetate and alumina at 450–550 °C:
C6H5CO2H + CH3CH2CO2H → C6H5C(O)CH2CH3 + CO2 + H2O
Ludwig Claisen discovered that α-methoxystyrene forms this compound when heated for an hour at 300 °C (65% yield).
Stability and Reactivity of Propiophenone:
Chemical stability:
Propiophenone is generally stable under normal ambient temperatures and recommended storage conditions.
Reactivity:
No significant hazardous reactivity is expected under normal conditions of handling and use.
Conditions to avoid:
Avoid excessive heat, open flames, sparks, hot surfaces, and prolonged exposure to incompatible substances.
Incompatible materials:
Avoid strong oxidizing agents, strong reducing agents, and other highly reactive chemicals.
Hazardous decomposition products:
Thermal decomposition or combustion may generate carbon monoxide, carbon dioxide, and irritating organic fumes.
Handling and Storage of Propiophenone:
Safe handling:
Handle in a well-ventilated area and avoid unnecessary contact with the skin and eyes.
Keep away from heat and ignition sources and maintain good industrial hygiene practices.
Storage conditions:
Keep the container tightly closed in a cool, dry, and well-ventilated place.
Recommended storage conditions for commercial propiophenone include approximately 2–30°C.
First Aid Measures of Propiophenone:
Inhalation:
Move the affected person to fresh air and keep them comfortable for breathing.
Seek medical attention if symptoms persist.
Skin contact:
Remove contaminated clothing and wash the affected area thoroughly with soap and water.
Obtain medical advice if irritation develops.
Eye contact:
Rinse cautiously with plenty of water for several minutes.
Remove contact lenses if present and easy to do and continue rinsing.
Seek medical attention if irritation persists.
Ingestion:
Rinse the mouth thoroughly with water.
Seek medical advice if discomfort or adverse symptoms occur.
Firefighting Measures of Propiophenone:
Suitable extinguishing media:
Use water spray, dry chemical, carbon dioxide, or suitable foam according to surrounding fire conditions.
Specific fire considerations:
Propiophenone is classified commercially as a combustible liquid and has a reported closed-cup flash point around 99°C, although values may vary by test method and product specification.
Protective equipment:
Firefighters should wear appropriate protective clothing and self-contained breathing apparatus where necessary.
Accidental Release Measures of Propiophenone:
Personal precautions:
Provide adequate ventilation and remove unnecessary ignition sources.
Avoid direct contact with spilled material and wear appropriate personal protective equipment.
Cleanup methods:
Absorb spilled liquid with sand, earth, or another suitable inert absorbent material.
Collect the material in an appropriate closed container for disposal.
Environmental precautions:
Prevent unnecessary release into drains, waterways, and soil.
Exposure Controls/Personal Protective of Propiophenone:
Engineering controls:
Provide adequate general ventilation or local exhaust ventilation where vapors may accumulate.
Eye protection:
Wear suitable safety glasses or chemical protective goggles.
Hand protection:
Wear appropriate chemical-resistant protective gloves.
Skin protection:
Wear suitable laboratory or industrial protective clothing to minimize direct contact.
Respiratory protection:
Use suitable respiratory protection when ventilation is insufficient or airborne concentrations cannot be adequately controlled.
Hygiene measures:
Wash hands thoroughly after handling.
Avoid eating, drinking, or smoking in areas where propiophenone is handled or stored.
Identifiers of Propiophenone:
Empirical Formula (Hill Notation): C9H10O
CAS Number: 93-55-0
Molecular Weight: 134.18
UNSPSC Code: 12352115
EC Index Number: 202-257-6
NACRES: NA.22
MDL Number: MFCD00009309
Assay: ≥99.0% (GC)
Form: liquid
Product Number: P0519
Purity / Analysis Method: >98.0%(GC)
Molecular Formula / Molecular Weight: C9H10O = 134.18
Physical State (20 deg.C): Liquid
Storage Temperature: Room Temperature (Recommended in a cool and dark place, <15°C)
CAS RN: 93-55-0
Reaxys Registry Number: 606215
PubChem Substance ID: 87574702
SDBS (AIST Spectral DB): 2839
Merck Index (14): 7830
MDL Number: MFCD00009309
Name: 1-phenylpropan-1-one
CAS Number: 93-55-0
ECHA EINECS - REACH Pre-Reg: 202-257-6
FDA UNII: E599A8OKQH
Nikkaji Web: J22.071J
Beilstein Number: 0606215
MDL: MFCD00009309
CoE Number: 599
XlogP3: 2.20 (est)
Molecular Weight: 134.17790000
Formula: C9 H10 O
CAS Number: 93-55-0
ChEBI: CHEBI:425902
ChEMBL: ChEMBL193446
ChemSpider: 6881
ECHA InfoCard: 100.002.053
PubChem CID: 7148
UNII: E599A8OKQH
CompTox Dashboard (EPA): DTXSID2044470
InChI: InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
Key: KRIOVPPHQSLHCZ-UHFFFAOYSA-N
InChI: InChI=1/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
Key: KRIOVPPHQSLHCZ-UHFFFAOYAT
SMILES: CCC(=O)c1ccccc1
CAS: 93-55-0
IUPAC Name: 1-phenylpropan-1-one
Molecular Formula: C9H10O
InChI Key: KRIOVPPHQSLHCZ-UHFFFAOYSA-N
SMILES: CCC(=O)C1=CC=CC=C1
Molecular Weight (g/mol): 134.18
Synonym: propiophenone propionphenone
CAS No.: 93-55-0
Chemical Name: Propiophenone
CBNumber: CB8695754
Molecular Formula: C9H10O
Formula Weight: 134.18
Properties of Propiophenone:
Vapor Pressure: 1.99 hPa (20 °C)
Quality Segment: 200
Assay: ≥99.0% (GC)
Form: liquid
Potency: 4490 mg/kg LD50, oral (Rat), 4490 mg/kg LD50, skin (Rabbit)
Boiling Point: 214-218 °C/1013 hPa
Melting Point: 18 °C
Transition Temperature: flash point 85 °C
Solubility: 2 g/L
Density: 1.01 g/cm3 at 20 °C
Storage Temperature: 2-30°C
SMILES String: O=C(CC)c1ccccc1
InChI: 1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key: KRIOVPPHQSLHCZ-UHFFFAOYSA-N
Chemical Formula: C9H10O
Molar Mass: 134.178 g·mol−1
Appearance: Colorless liquid
Density: 1.0087 g/mL
Melting Point: 18.6 °C (65.5 °F; 291.8 K)
Boiling Point: 218 °C (424 °F; 491 K)
Solubility in Water: Insoluble
Magnetic Susceptibility (χ): −83.73·10−6 cm3/mol
Molecular Weight: 134.17 g/mol
XLogP3: 2.2
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 2
Exact Mass: 134.073164938 Da
Monoisotopic Mass: 134.073164938 Da
Topological Polar Surface Area: 17.1 Ų
Heavy Atom Count: 10
Complexity: 112
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Melting Point: 17-19 °C(lit.)
Boiling Point: 218 °C(lit.)
Density: 1.009 g/mL at 25 °C(lit.)
Vapor Pressure: 1 mm Hg (50 °C)
Refractive Index: n20/D 1.526(lit.)
FEMA: 3469 | PROPIOPHENONE
Flash Point: 190 °F
Storage Temperature: Store below +30°C.
Solubility: Insoluble in water, soluble in alcohol and oils
Form: Liquid
Color: Clear colorless to light yellow
Odor: at 10.00 % in dipropylene glycol. hawthorn lilac floral aromatic cherry herbal
Odor Type: floral
Water Solubility: INSOLUBLE
JECFA Number: 824
Merck: 14,7830
BRN: 606215
Henry's Law Constant: 9.9×10-1 mol/(m3Pa) at 25℃, Ji et al. (2008)
Dielectric Constant: 15.5
Stability: Stable. Incompatible with strong oxidizing agents, strong bases.
Major Application: cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
InChI: 1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey: KRIOVPPHQSLHCZ-UHFFFAOYSA-N
SMILES: CCC(=O)c1ccccc1
LogP: 2.71
CAS DataBase Reference: 93-55-0(CAS DataBase Reference)
NIST Chemistry Reference: 1-Propanone, 1-phenyl-(93-55-0)
EPA Substance Registry System: Propiophenone (93-55-0)
Appearance: colorless clear oily liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 1.00400 to 1.01400 @ 20.00 °C.
Pounds per Gallon - (est).: 8.364 to 8.447
Refractive Index: 1.52100 to 1.53100 @ 20.00 °C.
Melting Point: 18.00 to 20.00 °C. @ 760.00 mm Hg
Boiling Point: 218.00 to 219.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.129000 mmHg @ 25.00 °C. (est)
Flash Point: 210.00 °F. TCC (98.89 °C.)
logP (o/w): 2.190
Specifications of Propiophenone:
Form: Liquid
Appearance (Color): Clear colorless to yellow to brown
Assay (GC): ≥98.5%
Refractive Index: 1.5245-1.5280 @ 20?C
Related compounds of Propiophenone:
Related ketones:
Acetophenone
Butyrophenone
Names of Propiophenone:
Preferred IUPAC name:
1-Phenylpropan-1-one
Other names:
Ethyl phenyl ketone
BzEt