1-Methyl Xanthine

Name: 1-Methyl Xanthine
Brand: Zemixal
SKU: ZX-027216

Reference StandardAvailable on request

Buy 1-Methyl Xanthine (CAS 6136-37-4) from Zemixal. Lab and bulk packs, batch COA, fast global delivery. Part of our Metabolites & Degradation Products range.

Pack sizes

CAS number6136-37-4

FormulaC₆H₆N₄O₂

Molar mass166.14 g/mol

Physical formSolid

HS code38229090

InChIKeyMVOYJPOZRLFTCP-UHFFFAOYSA-N

IUPAC name1-methyl-3,7-dihydropurine-2,6-dione

About 1-Methyl Xanthine

1-Methyl Xanthine is supplied by Zemixal as a characterised reference material for Theophylline analysis. Key data (Reference Standard): CAS 6136-37-4, formula C6H6N4O2 and molar mass 166.14 g/mol. It is handled as a solid.

Use cases we see most often

Metabolite identification
Stability-indicating methods
Impurity profiling

Handling and storage

It carries the GHS signal word Warning (H302, H315, H319 and H335), so wear gloves and eye protection and work with good ventilation.

Available as 10 mg, 25 mg, 50 mg and 100 mg. Larger or split packs can be arranged. Every shipment includes a certificate of analysis with characterisation data. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Reference standards for Theophylline

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

Theophylline standards

Typical uses

Metabolite identification
Stability-indicating methods
Impurity profiling

Applications

Pharmaceutical Manufacturing and QC Research Labs and Universities

Specifications and identifiers

Specifications of 1-Methyl Xanthine
Product name	1-Methyl Xanthine
Catalogue number	ZX-027216
CAS number	6136-37-4
IUPAC name	1-methyl-3,7-dihydropurine-2,6-dione
Molecular formula	C₆H₆N₄O₂
Molar mass	166.14 g/mol
Exact mass	166.0491
Grade	Reference Standard
Physical form	Solid
XLogP3	-0.3
H-bond donors / acceptors	2 / 3
Topological polar surface area	78.1 Å²
HS code	38229090
InChIKey	MVOYJPOZRLFTCP-UHFFFAOYSA-N
SMILES	CN1C(=O)C2=C(NC1=O)N=CN2
PubChem CID	80220
Synonyms	Xanthine, 1-methyl-, 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-, 1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1-Methyl-1H-purine-2,6(3H,7H)-dione, 1-Methyl-3,7-dihydro-purine-2,6-dione, 2,6-Dihydroxy-1-methylpurine, 1-Methyl-3,7-dihydro-1H-purine-2,6-dione, 1-methyl-7H-xanthine, Methylxanthine, 3,7-Dihydro-1-methyl-1H-purine-2,6-dione, 2,6 Dihydroxy-1-methylpurine

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

Safety and GHS hazards

Irritant or harmful

Signal word Warning

H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of 1-Methyl Xanthine
10 mg	Quoted on request
25 mg	Quoted on request
50 mg	Quoted on request
100 mg	Quoted on request

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

Questions about 1-Methyl Xanthine

Which CAS number identifies 1-Methyl Xanthine?

1-Methyl Xanthine is registered under CAS 6136-37-4. You may also see it listed as Xanthine, 1-methyl-, 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-, 1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Our catalogue number for this item is ZX-027216.

What are the formula and molar mass of 1-Methyl Xanthine?

For 1-Methyl Xanthine, its formula is C6H6N4O2 and its molar mass is 166.14 g/mol. The systematic (IUPAC) name is 1-methyl-3,7-dihydropurine-2,6-dione. InChIKey MVOYJPOZRLFTCP-UHFFFAOYSA-N lets you match it in any structure database.

How is 1-Methyl Xanthine used in pharmaceutical QC?

1-Methyl Xanthine is a characterised reference material linked to Theophylline. 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 1-Methyl Xanthine?

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 1-Methyl Xanthine?

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 1-Methyl Xanthine to my country?

Yes. Because 1-Methyl Xanthine is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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