Hexadecylbenzene TCI H0513

Chemical Identity

Other names: Cetylbenzene · 1-Phenylhexadecane
CAS No.: 1459-09-2
Formula: C22H38
Molecular weight: 302.55 g/mol
Purity: >99.0%(GC)

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: hexadecylbenzene
SMILES: CCCCCCCCCCCCCCCCC1=CC=CC=C1
InChIKey: DEQLTFPCJRGSHW-UHFFFAOYSA-N
MDL: MDL00039871
PubChem: CID 15085

Rp 1.670.550,00

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TCI H0513 Hexadecylbenzene is a long-chain alkylbenzene compound consisting of a single benzene ring bonded to a straight, sixteen-carbon hexadecyl chain. This structure makes it a pure model of the linear alkylbenzene class, a group of compounds of considerable importance as the basic framework of surfactants and cleaning agents. In the laboratory, the compound serves as a starting material for sulfonation, as a reference compound for chromatographic analysis, and as a model liquid or solid in research on lubricants and aromatic hydrocarbon-based materials.

The principal characteristic of this material is the clear separation between the relatively reactive aromatic portion and the long, nonpolar alkyl tail. The benzene ring provides a site for electrophilic substitution reactions such as sulfonation, nitration, or acylation, while the hexadecyl chain governs the solubility, viscosity, and interfacial behaviour of the molecule. Because the chain is straight and clearly defined, experimental results are far easier to interpret than those obtained with commercial alkylbenzenes, which are generally mixtures of branched isomers.

This material is typically a solid at room temperature and may soften when the room feels warm — a practical consideration for laboratories in Indonesia, where ambient conditions are consistently warm and humid. It is used in academic and industrial laboratories working on surfactant chemistry, detergent formulation, and aromatic hydrocarbon studies, where a well-defined single-isomer reference is needed rather than a technical-grade mixture.

Sulfonation starting material: the benzene ring accepts electrophilic sulfonation cleanly, giving a single-isomer alkylbenzene sulfonate useful for studying detergent synthesis routes under controlled conditions.
Chromatographic reference compound: its defined straight-chain structure produces a predictable, reproducible retention behaviour, making it a dependable standard for identifying and calibrating alkylbenzene separations.
Surfactant research model: the sharp division between the aromatic head and the long nonpolar tail lets researchers study interfacial behaviour without interference from branched isomer mixtures.
Lubricant and hydrocarbon studies: the compound functions as a model aromatic hydrocarbon material whose viscosity and solubility behaviour are governed by a single, well-characterised sixteen-carbon chain.
Electrophilic substitution teaching and method development: nitration, acylation, and related substitution reactions can be demonstrated on a substrate where the reactive ring and inert tail are cleanly separated.

Brand	TCI (Tokyo Chemical Industry)
CAS number	1459-09-2
Molecular formula	—
Purity	—
Category	Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes	supplied in standard TCI catalogue pack sizes — please confirm the available option when ordering
Physical form	solid at room temperature; may soften in warm ambient conditions
Storage	—

Product code: H0513

Store the container in a cool, dry place away from direct sunlight, heat sources, and ignition sources, keeping it tightly closed to prevent moisture ingress and contamination. Because the material softens in warm conditions, an air-conditioned storage area or a temperature-controlled cabinet is preferable in Indonesian laboratories. Keep it in its original tightly sealed container, or in a clean glass or chemically compatible bottle if transferred. Handle in a well-ventilated area or fume hood, wearing safety goggles, gloves, and a laboratory coat. Keep away from strong oxidising agents, and consult the manufacturer's safety data sheet before use and disposal.

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