Theobromine

Catalog Number

ACM83670

CAS

83-67-0

Structure

IUPAC Name

3,7-Dimethylpurine-2,6-dione

Synonyms

3,7-Dimethyl-xanthin

Molecular Weight

180.16

Molecular Formula

C7H8N4O2

Canonical SMILES

CN1C=NC2=C1C(=O)NC(=O)N2C

InChI

InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)

InChI Key

YAPQBXQYLJRXSA-UHFFFAOYSA-N

Boiling Point

312.97 °C

Melting Point

345-350 °C

Flash Point

290-295 °C

Purity

98%

Density

1.50 g/cm³

Solubility

Slightly soluble in water

Appearance

White solid

Storage

Inert atmosphere, room temperature

Actives

95%

Physical State

Solid

Typical Applications

Use as dispersing agent, emulsion stabilizer.
Use as anticorrosive agent.
Use as antistatic agent.