Caffeine, 98%

cas: 58-08-2 — see every product listed under this CAS number, including other names

Caffeine, 98% (CAS 58-08-2) is a chemical reagent available from Chemat. Available pack sizes: 100g, 500g, 1kg, 5g, 25g. Offered by: Combi-blocks.

brandCombi-blocks
catalog numberQE-5365-100g
cas58-08-2
size100g
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

brand size price
Combi-blocks 100g price on request
Combi-blocks 500g price on request
Combi-blocks 1kg price on request
Combi-blocks 5g price on request
Combi-blocks 25g price on request

properties

purity98%
delivery time1-2 weeks (only if in stock, to check click on availability)
Structural formula: {0} (CAS {1})

Caffeine is a trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. It has a role as a geroprotector, a mutagen, a central nervous system stimulant, a psychotropic drug, a diuretic, a xenobiotic, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, an adenosine A2A receptor antagonist, an adjuvant, a food additive, a ryanodine receptor agonist, an adenosine receptor antagonist, a mouse metabolite, a plant metabolite, a fungal metabolite, an environmental contaminant and a human blood serum metabolite. It is a purine alkaloid and a trimethylxanthine.

Source: ChEBI

Identity
Molecular formulaC8H10N4O2
Molecular weight194.19 g/mol
IUPAC name1,3,7-trimethylpurine-2,6-dione
InChIKeyRYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Computed by PubChem (NCBI)

Synonyms: caffeine, Guaranine, 1,3,7-Trimethylxanthine, Methyltheobromine, Theine, Thein, Cafeina, Caffein, Cafipel, Koffein
Related forms of this compound
1,3,7-tri((113C)methyl)purine-2,6-dione C8H10N4O2
1,3-dimethyl-7-(trideuteriomethyl)purine-2,6-dione C8H10N4O2
1,3,7-tris(trideuteriomethyl)purine-2,6-dione C8H10N4O2
1,7-dimethyl-3-(113C)methylpurine-2,6-dione C8H10N4O2
3,7-dimethyl-1-(trideuteriomethyl)purine-2,6-dione C8H10N4O2
8-deuterio-1,3,7-tris(trideuteriomethyl)purine-2,6-dione C8H10N4O2
Isomers (same molecular formula)
N-(diaminomethylideneamino)-4-hydroxybenzamide C8H10N4O2
(3S)-3-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione C8H10N4O2
N-(diaminomethylideneamino)-2-hydroxybenzamide C8H10N4O2
methyl 5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate C8H10N4O2
1-N',3-N'-dihydroxybenzene-1,3-dicarboximidamide C8H10N4O2
1-N',2-N'-dihydroxybenzene-1,2-dicarboximidamide C8H10N4O2

Also listed as

Caffeine (Theophylline EP Impurity A) Chemat Brand CAS 58-08-2
Dimenhydrinate Impurity 3 (Dimenhydrinate EP Impurity C) Hubei YoungXin CAS 58-08-2
Caffeine Hubei YoungXin CAS 58-08-2
Pentoxifylline Impurity 6（Pentoxifylline EP Impurity F） Hubei YoungXin CAS 58-08-2
Theophylline-ethylenediamine Impurity 1（Theophylline-ethylenediamine EP Impurity A） Hubei YoungXin CAS 58-08-2
Caffeine, >95% (HPLC) TRC CAS 58-08-2
Caffeine 1.0 mg/ml in Methanol LoGiCal CAS 58-08-2
Caffeine 10 µg/mL in Methanol Dr. Ehrenstorfer CAS 58-08-2
Caffeine 100 µg/mL in Methanol Dr. Ehrenstorfer CAS 58-08-2
Caffeine, 1mg/ml in Methanol Lipomed CAS 58-08-2
Caffeine (CRM) GLPBio CAS 58-08-2
Caffeine, 99% Thermo Scientific (Alfa Aesar) CAS 58-08-2
Caffeine, 99.7% Thermo Scientific (Alfa Aesar) CAS 58-08-2
Caffeine, >98.0%(HPLC)(T) TCI CAS 58-08-2
Caffeine, 98.5%, specified according to the req. of USP/BP Thermo Scientific (Acros) CAS 58-08-2
Caffeine, Ph. Eur., USP grade, 98.50% Chemat CAS 58-08-2
Caffeine, 99%, 98.50% Chemat CAS 58-08-2
Caffeine, anhydrous, meets USP testing s Sigma-Aldrich CAS 58-08-2
CAFFEINE BIOXTRA Sigma-Aldrich CAS 58-08-2
METTLER TOLEDO CALIBRATION SUBSTANCE ME Sigma-Aldrich CAS 58-08-2