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Imidazoles & Benzimidazoles

Caffeine, GR 99%+

ARAvailable on request

Caffeine, GR 99%+ (CAS 58-08-2) supplier Zemixal: C8H10N4O2, COA and SDS with every lot, worldwide shipping. Purity ≥99%.

Pack sizes
Caffeine, GR 99%+ chemical structure
CAS number58-08-2
FormulaC8H10N4O2
Molar mass194.19 g/mol
Physical formPowder
HS code29393000
UN numberUN 1544
Purity≥99%
InChIKeyRYYVLZVUVIJVGH-UHFFFAOYSA-N
IUPAC name1,3,7-trimethylpurine-2,6-dione

About Caffeine, GR 99%+

Caffeine, GR 99%+ is part of the Zemixal imidazoles & Benzimidazoles range. For your records (AR), the material is defined by CAS 58-08-2, formula C8H10N4O2 and molar mass 194.19 g/mol. Expect white crystalline powder.

Where it is used

  • Organic synthesis
  • API synthesis

Safe handling

Literature values: melting point 235 to 237 °C. It carries the GHS signal word Warning (H302), so wear gloves and eye protection and work with good ventilation. For transport it ships as UN UN 1544.

Order it in 100 g, 250 g and 500 g packs or ask for a bulk quotation. You receive a batch certificate of analysis and a 16-section SDS with each order. Add it to your quote list and our team replies with price, lead time and shipping options within one business day.

Typical uses

  • Organic synthesis
  • API synthesis

Applications

Grade guides

Specifications and identifiers

Specifications of Caffeine, GR 99%+
Product nameCaffeine, GR 99%+
Catalogue numberZX-011245
CAS number58-08-2
IUPAC name1,3,7-trimethylpurine-2,6-dione
Molecular formulaC8H10N4O2
Molar mass194.19 g/mol
Exact mass194.0804
GradeAR
Purity / assay≥99%
Physical formPowder
AppearanceWhite crystalline powder
Melting point235 to 237 °C
XLogP3-0.1
H-bond donors / acceptors0 / 3
Topological polar surface area58.4 Ų
HS code29393000
UN numberUN 1544
InChIKeyRYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C
PubChem CID2519
Synonyms1,3,7-Trimethylxanthine, Guaranine, Methyltheobromine, Theine, Thein, Caffein, Koffein, Alert-pep, Coffeine, Anhydrous caffeine, Caffedrine, Vivarin

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

Safety and GHS hazards

GHS07 Irritant or harmful
Irritant or harmful

Signal word Warning

  • H302Harmful if swallowed

Precautionary statements P264, P270, P301 + P317, P330, 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 Caffeine, GR 99%+
100 gQuoted on request
250 gQuoted on request
500 gQuoted 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, GR 99%+

Which CAS number identifies Caffeine, GR 99%+?
Caffeine, GR 99%+ is registered under CAS 58-08-2. You may also see it listed as 1,3,7-Trimethylxanthine, Guaranine, Methyltheobromine. Our catalogue number for this item is ZX-011245.
What are the formula and molar mass of Caffeine, GR 99%+?
For Caffeine, GR 99%+, its formula is C8H10N4O2 and its molar mass is 194.19 g/mol. The systematic (IUPAC) name is 1,3,7-trimethylpurine-2,6-dione. InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for Caffeine, GR 99%+?
This listing is AR grade with ≥99% purity. Standard packs are 100 g, 250 g, 500 g. Larger quantities and custom packing can be quoted on request.
Which documents come with Caffeine, GR 99%+?
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, GR 99%+ to my country?
Yes. Because Caffeine, GR 99%+ is classed as hazardous (UN 1544), it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

Other grades with CAS 58-08-2

All 6 grades
Caffeine, 98%
CAS
58-08-2
Formula
C8H10N4O2
MW
194.19 g/mol
ZX-011244
Caffeine, 98%
CAS
58-08-2
Formula
C8H10N4O2
MW
194.19 g/mol
ZX-011244

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