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Stable Isotope Labelled Standards (Deuterated, 13C, 15N)

Caffeine-d9

Reference StandardAvailable on request

Caffeine-d9 (CAS 72238-85-8) supplier Zemixal. Request a quote with price, lead time and documents. Packs from 10 mg. Catalogue no. ZX-028408.

Pack sizes
Caffeine-d9 chemical structure
CAS number72238-85-8
FormulaC8H10N4O2
Molar mass203.25 g/mol
Physical formSolid
HS code38229090
InChIKeyRYYVLZVUVIJVGH-GQALSZNTSA-N
IUPAC name1,3,7-tris(trideuteriomethyl)purine-2,6-dione

About Caffeine-d9

Caffeine-d9 is supplied by Zemixal as a characterised reference material for Caffeine analysis. For your records (Reference Standard), the material is defined by CAS 72238-85-8, formula C8H10N4O2 and molar mass 203.25 g/mol. It is handled as a solid.

Common uses in the lab and plant

  • LC-MS/MS internal standard
  • Bioanalytical quantitation
  • Pharmacokinetic studies

Available as 10 mg, 25 mg, 50 mg and 100 mg. Larger or split packs can be arranged. Each lot travels with a certificate of analysis with characterisation data. Request pricing online and we confirm availability, documentation and freight to your country.

Reference standards for Caffeine

See every impurity, metabolite and related compound we list for this API.

Caffeine standards

Typical uses

  • LC-MS/MS internal standard
  • Bioanalytical quantitation
  • Pharmacokinetic studies

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Grade guides

Deuterated and Stable-Isotope-Labelled Compounds

Specifications and identifiers

Specifications of Caffeine-d9
Product nameCaffeine-d9
Catalogue numberZX-028408
CAS number72238-85-8
IUPAC name1,3,7-tris(trideuteriomethyl)purine-2,6-dione
Molecular formulaC8H10N4O2
Molar mass203.25 g/mol
Exact mass203.1369
GradeReference Standard
Physical formSolid
XLogP3-0.1
H-bond donors / acceptors0 / 3
Topological polar surface area58.4 Ų
HS code38229090
InChIKeyRYYVLZVUVIJVGH-GQALSZNTSA-N
SMILES[2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2C([2H])([2H])[2H])C([2H])([2H])[2H]
PubChem CID13001304
Synonyms1,3,7-Tris((~2~H_3_)methyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3,7-Tris[(~2~H_3_)methyl]-3,7-dihydro-1H-purine-2,6-dione, Caffeine-d9 (1,3,7-trimethyl-d9), d9-caffeine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-d3)-

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

No GHS classification is on file for this item. Handle it as an unknown laboratory chemical and request the SDS with your quotation.

Pack sizes

Pack sizes of Caffeine-d9
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about Caffeine-d9

Which CAS number identifies Caffeine-d9?
Caffeine-d9 is registered under CAS 72238-85-8. You may also see it listed as 1,3,7-Tris((~2~H_3_)methyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3,7-Tris[(~2~H_3_)methyl]-3,7-dihydro-1H-purine-2,6-dione, Caffeine-d9 (1,3,7-trimethyl-d9). Our catalogue number for this item is ZX-028408.
What are the formula and molar mass of Caffeine-d9?
For Caffeine-d9, its formula is C8H10N4O2 and its molar mass is 203.25 g/mol. The systematic (IUPAC) name is 1,3,7-tris(trideuteriomethyl)purine-2,6-dione. InChIKey RYYVLZVUVIJVGH-GQALSZNTSA-N lets you match it in any structure database.
How is Caffeine-d9 used in pharmaceutical QC?
Caffeine-d9 is a characterised reference material linked to Caffeine. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for Caffeine-d9?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with Caffeine-d9?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Caffeine-d9 to my country?
Yes. Caffeine-d9 ships worldwide by express courier, air cargo or sea freight, quoted on the Incoterm you prefer, with full export documents.

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