Caffeine

Name: Caffeine
Brand: Vaqora Chemicals
SKU: VQ-004027

About Caffeine

Caffeine is a central nervous system API in IP/BP/USP grade carrying the CAS registry number 58-08-2. Its molecular formula is C8H10N4O2 and its molecular weight is 194.19 g/mol. The IUPAC name is 1,3,7-trimethylpurine-2,6-dione. Common synonyms include Guaranine and 1,3,7-Trimethylxanthine.

The product is provided as a powder. Store in a tightly closed container in a cool, dry and well-ventilated place. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

As an active pharmaceutical ingredient within our CNS and psychiatric APIs range, it is offered in IP/BP/USP grade for formulation development, generic drug programmes and commercial manufacturing. It is used across pharmaceutical manufacturing.

We offer Caffeine in 1 kg, 5 kg and 25 kg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Pharmaceutical formulation
Generic drug development

Industries

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	Caffeine
Catalogue No.	VQ-004027
CAS Number	58-08-2
IUPAC name	1,3,7-trimethylpurine-2,6-dione
Molecular formula	C₈H₁₀N₄O₂
Molecular weight	194.19 g/mol
Exact mass	194.0804
Grade	IP/BP/USP
HSN code	2933
InChIKey	RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES	CN1C=NC2=C1C(=O)N(C(=O)N2C)C
PubChem CID	2519

Physical properties
Physical form	Powder
LogP (XLogP3)	-0.1
H-bond donors / acceptors	0 / 3
TPSA	58.4 Å²
Synonyms	Guaranine, 1,3,7-Trimethylxanthine, Methyltheobromine, Theine, Thein, Caffein, Koffein, Alert-pep, Coffeine, Anhydrous caffeine, Caffedrine, Vivarin

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements: P264, P270, P301 + P317, P330, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Other grades of CAS 58-08-2

Food Grade

Caffeine anhydrous, food grade (FCC)

CAS: 58-08-2
Formula: C₈H₁₀N₄O₂
MW: 194.19 g/mol

VQ-047109

IP/BP/EP/Ph. Eur. / AR

Caffeine anhydrous, IP/BP/EP/Ph. Eur., AR

CAS: 58-08-2
Formula: C₈H₁₀N₄O₂
MW: 194.19 g/mol

VQ-047108

Plant Culture

Caffeine anhydrous, plant tissue culture tested

CAS: 58-08-2
Formula: C₈H₁₀N₄O₂
MW: 194.19 g/mol

VQ-045663

Caffeine, 98%

CAS: 58-08-2
Formula: C₈H₁₀N₄O₂
MW: 194.19 g/mol

VQ-012186

AR

Caffeine, GR 99%+

CAS: 58-08-2
Formula: C₈H₁₀N₄O₂
MW: 194.19 g/mol

VQ-012187

Frequently asked questions

What is the CAS number of Caffeine?

The CAS Registry Number of Caffeine is 58-08-2. It is also known as Guaranine, 1,3,7-Trimethylxanthine, Methyltheobromine.

What is the molecular formula and molecular weight of Caffeine?

Caffeine has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1,3,7-trimethylpurine-2,6-dione.

Which grade and pack sizes of Caffeine can I order?

We supply Caffeine in IP/BP/USP grade, in 1 kg, 5 kg, 25 kg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Caffeine?

Yes. Every lot of Caffeine is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Caffeine be shipped internationally?

Yes. Caffeine is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.