Isocaffeine

Also known as: 1,3,9-Trimethylxanthine, 1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione, 1,3,9-Trimethylpurine-2,6-dione, 2,6-Dihydroxy-1,3,9-trimethylpurine, CAFFEINE IMP C, 1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl-, 3,9-dihydro-1,3,9-trimethyl-1H-purine-2,6-dione, NSC 28332, MFCD00022834, EINECS 208-267-7

Isocaffeine (CAS 519-32-4) is a compound in the Pharma Intermediates category listed in the Jingsj chemical database. It has the molecular formula C8H10N4O2 and a molecular weight of 194.191 g/mol. Key properties include a melting point of 288-290ºC (dec.), a boiling point of 416.8±37.0 °C at 760 mmHg, a density of 1.5±0.1 g/cm3 and a flash point of 205.9±26.5 °C. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 519-32-4
Jingsj CID: J-44068-6
Molecular Formula: C₈H₁₀N₄O₂
Molecular Weight: 194.191 g/mol
Category: Pharma Intermediates
Last updated: 8/21/2026

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Physicochemical Properties

Melting Point	288-290ºC (dec.)
Boiling Point	416.8±37.0 °C at 760 mmHg
Density	1.5±0.1 g/cm3
Flash Point	205.9±26.5 °C
Exact Mass	194.080383
PSA	61.82000
LogP	-0.13
Vapor Pressure	0.0±1.0 mmHg at 25°C
Refractive Index	1.679
Additional Property	H2O: >20mg/mL

Customs & Trade Information

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Frequently Asked Questions

What is the CAS number of Isocaffeine?

The CAS number of Isocaffeine is 519-32-4.

What are the molecular formula and molecular weight of Isocaffeine?

Isocaffeine has molecular formula C8H10N4O2 and molecular weight 194.191 g/mol.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "Isocaffeine (CAS 519-32-4)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-44068-6 (accessed 2026-11-09).

Data for reference only; verify product details with suppliers before purchase.