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4-(4-Hydroxyphenyl)-2-butanone

Base Information Edit
  • Chemical Name:4-(4-Hydroxyphenyl)-2-butanone
  • CAS No.:5471-51-2
  • Deprecated CAS:1039415-63-8
  • Molecular Formula:C10H12O2
  • Molecular Weight:164.204
  • Hs Code.:2914.50
  • European Community (EC) Number:226-806-4
  • NSC Number:26515
  • UNII:7QY1MH15BG
  • DSSTox Substance ID:DTXSID5044495
  • Nikkaji Number:J31.103K
  • Wikipedia:Raspberry_ketone
  • Wikidata:Q414484
  • RXCUI:1860422
  • Metabolomics Workbench ID:46172
  • ChEMBL ID:CHEMBL105912
  • Mol file:5471-51-2.mol
4-(4-Hydroxyphenyl)-2-butanone

Synonyms:4-(4-hydroxyphenyl)butan-2-one;4-(p-hydroxyphenyl)-2-butanone;4-hydroxybenzylacetone;betuligenol;oxyphenalon;p-hydroxybenzylacetone;raspberry ketone

Suppliers and Price of 4-(4-Hydroxyphenyl)-2-butanone
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 4-(4’-Hydroxyphenyl)-2-butanone
  • 100mg
  • $ 110.00
  • TCI Chemical
  • 4-(4-Hydroxyphenyl)-2-butanone >99.0%(GC)
  • 250g
  • $ 206.00
  • TCI Chemical
  • 4-(4-Hydroxyphenyl)-2-butanone >99.0%(GC)
  • 25g
  • $ 40.00
  • SynQuest Laboratories
  • 4-(4-Hydroxyphenyl)butan-2-one
  • 10 g
  • $ 87.00
  • SynQuest Laboratories
  • 4-(4-Hydroxyphenyl)butan-2-one
  • 1 g
  • $ 20.00
  • SynQuest Laboratories
  • 4-(4-Hydroxyphenyl)butan-2-one
  • 100 g
  • $ 141.00
  • Sigma-Aldrich
  • Raspberry ketone United States Pharmacopeia (USP) Reference Standard
  • 100mg
  • $ 366.00
  • Sigma-Aldrich
  • 4-(4-Hydroxyphenyl)-2-butanone ≥98%, FCC, FG
  • 5 kg
  • $ 325.00
  • Sigma-Aldrich
  • 4-(4-Hydroxyphenyl)-2-butanone natural, ≥98%, FCC, FG
  • 1 kg
  • $ 823.00
  • Sigma-Aldrich
  • 4-(4-Hydroxyphenyl)-2-butanone 99%
  • 250g
  • $ 315.00
Total 258 raw suppliers
Chemical Property of 4-(4-Hydroxyphenyl)-2-butanone Edit
Chemical Property:
  • Appearance/Colour:white to slightly yellow powder or needles 
  • Vapor Pressure:0.00106mmHg at 25°C 
  • Melting Point:81-85 °C(lit.) 
  • Refractive Index:1.535 
  • Boiling Point:292.2 °C at 760 mmHg 
  • PKA:9.99±0.15(Predicted) 
  • Flash Point:122.9 °C 
  • PSA:37.30000 
  • Density:1.088 g/cm3 
  • LogP:1.91380 
  • Storage Temp.:Refrigerator 
  • Solubility.:95% ethanol: soluble50mg/mL, clear to slightly hazy, colorless t 
  • Water Solubility.:Insoluble in water. 
  • XLogP3:1.5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:3
  • Exact Mass:164.083729621
  • Heavy Atom Count:12
  • Complexity:146
Purity/Quality:

99%, *data from raw suppliers

4-(4’-Hydroxyphenyl)-2-butanone *data from reagent suppliers

Safty Information:
  • Pictogram(s): HarmfulXn, IrritantXi 
  • Hazard Codes:Xn,Xi 
  • Statements: 22 
  • Safety Statements: 26-36/37/39-36 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(=O)CCC1=CC=C(C=C1)O
  • Uses 1. Raspberry Ketone is used in the preparation of food spices with sweetening effect, can also be used for cosmetics and soap flavor. 2. Raspberry Ketone is widely used in strawberry, raspberry, pineapple, peaches and other food flavors, usually used as a fixing agent in the fruity flavor. In daily flavor, it can be used in formulations such as jasmine, gardenia flowers and tuberose. As a modifier, it can be used in jasmine, gardenia, tuberose and other fragrant daily flavor. In food flavors, it is mostly used for strawberries, pineapple, peaches, plums, mayberry and other fragrance. In medicine, it is mostly used as intermediates. 4-(4-Hydroxyphenyl)-2-butanone is used in perfumery, in cosmetics, and as a food additive to impart a fruity odor. The primary aroma compound of red raspberries, used in perfume compositions, shampoos, cosmetics and as a food additive. Also an impurity in the synthesis of Dobutamine (D494445). Intermediates of Liquid Crystals
  • Production method 3.5mol 15% sodium hydroxide is first added to the reactor, and 2 mol of acetone and 1mol of p-hydroxybenzaldehyde are added dropwise under stirring. The temperature is controlled between 20 and 30 DEG C, and the stirring reaction is continued for 20 hours. The solid sodium salt of 4-p-hydroxyphenylbutene-3-ketone-2 was obtained after filtering, further dissolved in water, and then acidified with hydrochloric acid to precipitate 4-p-hydroxyphenylbutene-3-ketone-2, further filter and dry for further application. The autoclave was supplied with 100 g of the intermediate and 5 g of the nickel catalyst, and the atmosphere was replaced with hydrogen. The mixture was heated to 120-140 °C and reacted at a pressure of 0.98 MPa for 1.5 h. After cooling, the catalyst was filtered off, the raspberry ketone content was 89% and the hydrogenation yield was 92%. The crude product above is subject to vacuum distillation once with further recrystallization of 1-2 times getting white crystals with the melting point of 82 ° C. Phenol route 94g phenol and 85% phosphoric acid mixed catalyst were added into the reactor, 70g methyl vinyl ketone was added dropwise in 40min, the temperature was maintained at 15-20 ℃, and the reaction was stirred for 4h. After completion of the reaction, the reaction mixture was washed with water until neutral, and 63 g of phenol was distilled off under reduced pressure to obtain 25 g of a product having a melting point of 81.5 to 82.5 ° C and a yield of 80%. It is obtained through the condensation between hydroxybenzaldehyde and acetone and further hydrogenation. It is obtained through the condensation between the ketone acid and phenol.
  • Description 4-(p-Hydroxyphenyl)-2-butanone has a sweet, fruity, raspberry preserves odor. May be prepared by catalytic hydrogenation of phydroxy-benzylidene acetone in the presence of platinum black in ether or methanol or in the presence of palladium absorbed on charcoal.
Technology Process of 4-(4-Hydroxyphenyl)-2-butanone

There total 53 articles about 4-(4-Hydroxyphenyl)-2-butanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With palladium 10% on activated carbon; hydrogen; acetic acid; In methanol; at 20 ℃; for 24h;
DOI:10.1055/s-0029-1218389
Guidance literature:
With sodium tetrahydroborate; nickel(II) chloride hexahydrate; hydrogen; In methanol; at 0 - 30 ℃; under 760.051 Torr; Reagent/catalyst; Solvent; Temperature; Time; Reflux; Inert atmosphere;
DOI:10.5560/ZNB.2014-4118
Guidance literature:
With acetic acid; In tetrahydrofuran; water; acetonitrile; at 20 ℃; for 12h; pH=7.5;
DOI:10.1021/jo4010298
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