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CAS

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93-55-0

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.

93-55-0 Suppliers

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  • 93-55-0 Structure

  • Basic information

    1. Product Name: Propiophenone
    2. 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
    3. CAS NO:93-55-0
    4. Molecular Formula: C9H10O
    5. Molecular Weight: 134.18
    6. EINECS: 202-257-6
    7. Product Categories: Organics;API intermediates;Building Blocks;C9;Carbonyl Compounds;Chemical Synthesis;Ketones;Organic Building Blocks;ketone;Purines
    8. Mol File: 93-55-0.mol

  • Chemical Properties

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

  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany: 2
    5. RTECS: UG7175000
    6. TSCA: Yes
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 93-55-0(Hazardous Substances Data)

93-55-0 Usage

Chemical Description

Propiophenone is a ketone with the chemical formula C9H10O.

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.

Check Digit Verification of cas no

The CAS Registry Mumber 93-55-0 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 3 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 93-55:
(4*9)+(3*3)+(2*5)+(1*5)=60
60 % 10 = 0
So 93-55-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

93-55-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name propiophenone

1.2 Other means of identification

Product number -
Other names phenyl-1-propanone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:93-55-0 SDS

93-55-0Relevant articles and documents

Porous Cu-BTC silica monoliths as efficient heterogeneous catalysts for the selective oxidation of alkylbenzenes

Song, Guo-Qiang,Lu, Ying-Xun,Zhang, Qi,Wang, Fan,Ma, Xiao-Kun,Huang, Xian-Feng,Zhang, Zhi-Hui

, p. 30221 - 30224 (2014)

The microporous material Cu-BTC (1,3,5-benzenetricarboxylic acid, BTC) is a prototype metal-organic framework (MOF). In situ combination of Cu-BTC and macro-/mesoporous silica monoliths lead to an efficient catalyst for selective oxidation. The catalytic

(18)O-TRACER STUDY ON THE REARRANGEMENT OF CARBONYL OXIDE INTERMEDIATES TO ESTERS

Ishiguro, Katsuya,Tomizawa, Kohtaro,Sawaki, Yasuhiko,Iwamura, Hiizu

, p. 3723 - 3726 (1985)

A tracer study for the rearrangement of carbonyl oxides to esters using doubly-labeled oxygen lead to a conclusion that carbonyl oxides do not isomerize directly to dioxyranes and the rearrangement to esters proceeds via a cyclic tetroxide.

Crystal structure of meso-substituted pyrazolyl porphyrin complexes and their highly active catalyst for oxidation of alkylbenzenes

Yao, Yahong,Du, Yanxia,Li, Jun,Wang, Chen,Zhang, Zengqi,Zhao, Xin

, (2018)

During the past few years, a great deal of effort has been devoted to the anchoring of catalytic oxidation. In this work, three new catalysts CuPp, MnPp and ZnPp by solvothermal methods with 5, 10, 15, 20-tetrakis(4-N-pyrazolyl)-phenyl porphyrin (H2

ORGANO CYANOCUPRATES. II. REACTIONS AVEC LES CETONES α-HALOGENEES

Hamon, Louis,Levisalles, Jacques

, p. 259 - 272 (1983)

Comparison of lithium dimethylcuprate versus methylcyanocuprate as nucleophilic methylating reagents for α-halo ketones shows better selectivity for alkylation in the case of methylcyanocuprate, especially in the mixed solvent ether/dimethylformamide.The inverse addition techniques and addition of ligands such as dimethyl maleate also improve the selectivity.Methylcopper in the presence of chelating agents gives good selectivity but the reaction is slower.

A study of oxidative deprotection of trimethylsilyl (TMS) and tert-butyldimehylsilyl (TBDMS) ethers of alcohols with potassium permanganate (KMnO4) and barium manganate (BAMnO4) in the presence of Lewis acids in dry organic solvents

Firouzabadi, Habib,Etemadi, Shahrad,Karimi, Babak,Jarrahpour, Ali Asghar

, p. 141 - 151 (1999)

Oxidative deprotection of various trimethylsilyl and tert-butyldimethylsilyl ethers of alcohols with KMnO4 and BaMnO4 in the presence of varieties of Lewis acids in dry acetone and dry acetonitrile at room temperature are studied. BaMnO4 shows more chemoselectivity than KMnO4.

Catalytically active metal organic framework based on a porphyrin modified by electron-withdrawing groups

Xu, Weixia,Zhang, Zengqi,Zhao, Xin,Li, Jun

, p. 746 - 755 (2017)

One metal-free porphyrin, modified by electron-withdrawing groups, was synthesized by introduction of two peripheral pyridyl substituents and two metal coordination polymers, {[Zn(C42H16F10N6)]·2C2Hs

A Novel Open-Framework Copper Borovanadate with Enhanced Catalytic Performance for Oxidation of Benzylic C?H Bond

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, p. 9962 - 9967 (2017)

A novel open-framework copper borovanadate, with a 6-connected topological net and 1D 8-membered ring channels, has been obtained for the first time. The compound not only exhibits a unique -B3O7(OH)-Cu-B(OH)3 linkage and

Iodonium Ion - Catalyzed Domino Synthesis of Z-Selective α,β-Diphenylthio Enones from Easily Accessible Secondary Alcohols

Sundaravelu, Nallappan,Guha, Somraj,Sekar, Govindasamy

, p. 5895 - 5906 (2020)

The application of stabilized iodonium ions in organic synthesis remains largely unexplored. Herein, a metal-free domino synthesis of Z-selective α,β-diphenylthio enones is developed from easily available benzylic secondary alcohols employing thiophenol-s

Efficient and selective oxidation of hydrocarbons with tert-butyl hydroperoxide catalyzed by oxidovanadium(IV) unsymmetrical Schiff base complex supported on γ-Fe2O3 magnetic nanoparticles

Ardakani, Mehdi Hatefi,Sabet, Mohammad,Samani, Mahnaz

, (2022/01/22)

The catalytic activity of an oxidovanadium(IV) unsymmetrical Schiff base complex supported on γ-Fe2O3 magnetic nanoparticles, γ-Fe2O3@[VO(salenac-OH)] in which salenac-OH = [9-(2′,4′-dihydroxyphenyl)-5,8-diaza-4

Arylboronic Acid Catalyzed Dehydrative Mono-/Dialkylation Reactions of β-Ketoacids and Alcohols

Feng, Juhua,Hu, Haipeng,Ni, Hailiang,Qiu, Yuqian,Wang, Cuilin,Wang, Guangtu,Wang, Hanguang,Wang, Wei,Wu, Xin,Yue, Guizhou,Zou, Ping

supporting information, p. 832 - 836 (2022/02/05)

The dehydrative mono-/dialkylation reactions of alcohols and β-ketoacids were realized under arylboronic acid catalysis, furnishing a series of β-aryl ketones and β-ketoesters in yields of 15–99%, with CO2 and H2O being the byproduct