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CAS 5471-51-2

4-(4-Hydroxyphenyl)-2-butanone TCI H0604

4-(4-Hydroxyphenyl)-2-butanone TCI H0604

Chemical Identity

Other names
4-Hydroxybenzylacetone · Raspberry Ketone
CAS No.
5471-51-2
PubChem
CID 21648·SID 87570984
Formula
C10H12O2
Molecular weight
164.20 g/mol
Purity
>99.0%(GC)
Reference databases
ChEBI·ChemSpider·ECHA·Wikipedia
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
4-(4-hydroxyphenyl)butan-2-one
SMILES
CC(=O)CCC1=CC=C(C=C1)O
InChIKey
NJGBTKGETPDVIK-UHFFFAOYSA-N
MDL
MDL00002394
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TCI H0604, 4-(4-Hydroxyphenyl)-2-butanone, is an aromatic ketone more widely known as raspberry ketone, the characteristic aroma component of raspberry fruit. The molecule combines a phenol ring linked to a butanone chain through an ethylene bridge, bringing both phenolic and ketonic character together in a single simple structure. In the laboratory it serves as a reference standard in flavour and aroma analysis, as a test substance in metabolism and nutrition research, and as a synthetic building block that supplies a carbonyl group ready for further transformation.

What makes this compound attractive is the reactivity available at two independent sites. The phenolic group can be alkylated, acylated, or coupled oxidatively, while the ketone group is readily reduced to the corresponding alcohol, condensed, or converted into imine and oxime derivatives. The phenol ring gives distinctive ultraviolet absorption, so the compound is easily detected in liquid chromatography, while its volatility supports analysis by gas chromatography combined with mass spectrometry. Reagent-grade quality makes it a consistent point of reference in quantitative work, where the identity and behaviour of the standard must not vary between runs.

In Indonesian laboratories this material is typically found in food and flavour analysis units, in university chemistry and pharmacy departments, and in research groups working on biological activity and metabolic studies. It is used both as a comparison standard for instrumental methods and as a starting material in preparative work at bench scale. Because it belongs to the non-heterocyclic building block family, it is commonly kept alongside other aromatic intermediates in the general synthetic chemicals inventory.

  • Flavour and aroma analysis — serves as a comparison standard for identifying and quantifying raspberry ketone in samples analysed by gas chromatography with mass spectrometric detection.
  • Liquid chromatography method development — the phenol ring provides distinctive ultraviolet absorption, making the compound straightforward to detect and integrate during HPLC calibration work.
  • Organic synthesis as a building block — supplies a carbonyl group ready for reduction to an alcohol, condensation reactions, or conversion into imine and oxime derivatives.
  • Phenol-directed derivatisation studies — the free phenolic hydroxyl can be alkylated, acylated, or coupled oxidatively, allowing chemists to build more elaborate aromatic structures from a simple starting point.
  • Metabolism and nutrition research — used as a test substance in biological studies, where reagent-grade consistency ensures results remain comparable across repeated experimental runs.

Brand TCI (Tokyo Chemical Industry)
CAS number 5471-51-2
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes available in standard TCI catalogue pack sizes; please confirm the required quantity when ordering
Physical form —
Storage keep in a tightly closed container in a cool, dry place away from light
  • Product code: H0604

Store the container tightly closed in a cool, dry, well-ventilated area, protected from direct sunlight and away from strong oxidising agents. Amber glass or the original manufacturer bottle is suitable, since the phenolic ring is sensitive to prolonged light exposure. Handle in a fume hood using nitrile gloves, safety glasses, and a laboratory coat, and avoid generating dust or vapour during weighing. Return the material to storage promptly after use, label any prepared solutions clearly with contents and date, and dispose of residues through the laboratory's chemical waste stream in accordance with local regulations. Always consult the manufacturer's safety data sheet before first use.

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