Hordenine Hydrochloride 98%, CAS: 6027-23-2

Hordenine hydrochloride (CAS 6027-23-2) is the hydrochloride salt of hordenine, the N,N-dimethyl derivative of tyramine and one of the simplest phenethylamine alkaloids found in barley malt and in several cactus species. PolyBlueChem supplies a 98% assay material as a white to off-white crystalline powder, packed for nutraceutical formulation, fermentation media and analytical reference work. Formula C10H16ClNO, molecular weight 201.69; the salt carries 81.92% hordenine base by mass, so dose calculations must state which basis they use.

Specifications

Parameter Specification Method / note
Assay (hordenine hydrochloride) 98.0% min HPLC-UV, external standard, 280 nm
Appearance White to off-white crystalline powder Visual
Identification Conforms to reference IR spectrum and HPLC retention time
Loss on drying, heavy metals, residual solvents, microbial limits Tested batch by batch; reported on the certificate of analysis Per CoA issued with each lot

Assay is expressed on the salt, not on the free base. Contract specifications that say “hordenine 98%” without naming the basis are the most common source of a rejected lot; confirm the basis in writing before the PO is issued.

Chemical identity and salt arithmetic

Item Free base Hydrochloride salt
CAS number 539-15-1 6027-23-2
Molecular formula C10H15NO C10H16ClNO
Molecular weight 165.23 201.69
Hordenine content 100% 81.92% (165.23 / 201.69)
Chloride content – 17.58% theoretical (35.45 / 201.69)
PubChem CID – 165396

Three numbers follow from that table and they are the ones buyers actually need:

  • 1 g of 98% hordenine HCl delivers 0.803 g of hordenine base (0.98 x 0.8192). A formulation that calls for 100 mg base therefore needs 124.6 mg of the salt.
  • Chloride is a cheap identity check. Potentiometric titration or ion chromatography giving 17.6% Cl confirms the salt rather than a blend, and a result near 9% would expose a 50:50 dilution with free base or excipient.
  • Nitrogen is 6.95% of the salt (14.01 / 201.69) – a second independent cross-check when a supplier’s CoA is being verified by elemental analysis.

Full identity references: InChIKey KIZRJFIRFPIRFS-UHFFFAOYSA-N; IUPAC name 4-[2-(dimethylamino)ethyl]phenol hydrochloride. Hordenine has no stereocentre, so optical rotation carries no information for this product; enantiomeric purity is not a meaningful specification and any CoA that reports an [alpha]D value for hordenine should be questioned.

Why the hydrochloride rather than the free base

Hordenine base is a phenolic amine that oxidises and discolours on storage and is only sparingly soluble in water. The hydrochloride is a stable, freely water-soluble crystalline solid, which is why essentially all commercial supplement-grade material is sold as the salt. The trade-off is mass: every 1 kg of salt carries 0.18 kg of chloride that has no activity. Formulators who compare quotations per kilogram without converting to base equivalent can pay 20% more for the same active content. The same logic applies in reverse when a customer asks for the free base: the base is a low-melting, hygroscopic solid that needs antioxidant protection and cool storage, and switching forms changes both the dose and the stability profile.

Applications

  • Nutraceutical and sports-nutrition formulation. Used as a phenethylamine alkaloid ingredient in pre-workout and cognitive products. Because hordenine is a trace amine, formulations are usually built around a base-equivalent dose, and label declarations must match the basis used in the clinical or marketing literature – a recurring compliance failure.
  • Barley and brewing research. Hordenine is a natural constituent of germinating barley and is studied as a marker of malting progress and as a precursor of N-nitrosodimethylamine in malt. Analytical-standard quantities are used for method development and for verifying HPLC and LC-MS/MS methods.
  • Animal-nutrition and pharmacology research. Hordenine acts on trace amine-associated receptors and on noradrenaline release; it is a common reference compound in receptor and pharmacokinetics work where a defined, weighed salt is required.
  • Organic synthesis. N,N-dimethyltyramine is a convenient starting material for quaternary ammonium derivatives and for phenolic ethers, where the free phenol offers a single clean functional handle.

Handling, storage and packaging

The salt is hygroscopic and light-sensitive in solution. Store in a tightly closed container below 25 degC, protected from moisture and direct light. Aqueous stock solutions should be prepared at working strength, pH-adjusted and used within a short window: the phenol oxidises to coloured products, and alkaline conditions accelerate both oxidation and amine discolouration. Keep away from strong oxidisers. Standard packaging is 25 kg net in fibre drums with a double polyethylene liner, plus 1 kg aluminium-foil sample packs; nitrogen flushing is available for orders that will be stored for more than twelve months.

Frequently asked questions

Is the 98% assay calculated on the hydrochloride or on the free base? On the hydrochloride. On a base basis the same material is 80.3% hordenine. Ask for both numbers when comparing suppliers, because a “98% base” quotation describes a materially stronger product.

How is hordenine HCl distinguished from hordenine base and from tyramine? Three orthogonal tests: chloride titration separates salt from base; HPLC retention and UV ratio separate hordenine from tyramine (tyramine lacks the two N-methyl groups and elutes earlier on a C18 column in acidic mobile phase); and LC-MS/MS confirms the molecular ion at m/z 166.1 for the protonated base with a 121.1 fragment.

Is hordenine a controlled substance? Hordenine is not listed in the main narcotics or psychotropic schedules, but it is a trace amine that has appeared on anti-doping monitoring programmes, and dietary-supplement status differs by jurisdiction. Compliance must be confirmed for the destination country and the intended use before ordering. We supply to industrial and research customers on that basis and do not make health claims for the material.

What is the minimum order and what documentation is supplied? 25 kg drums from stock; samples from 100 g. Each lot ships with a certificate of analysis covering assay, appearance, identification and the requested supplementary tests, plus an SDS in the destination language on request.

Chemical structure

CN(C)CCC1=CC=C(C=C1)O.Cl

For the chemistry behind this product – biosynthesis in barley, the two main synthetic routes and the analytical logic used to fingerprint phenethylamine alkaloids – read our technical article Hordenine HCl: Chemistry, Specifications and Applications. Buyers comparing this material with synephrine, tyramine and octopamine should start with Phenethylamine Alkaloids Compared, and those auditing certificates should read Reading a Hordenine HCl Certificate of Analysis.

For current pricing, lead time, samples or a specification signed against your own monograph, contact PolyBlueChem at polybluechem@163.com.

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