English name: Theobromine

CAS number: 83-67-0

Molecular formula: C7H8N4O2

Molecular weight: 180.16

EINECS number: 201-494-2

MDL No. : MFCD00022830

Stats

Melting point 345-350 °C

Boiling point 312.97°C (rough estimate)

Density 1.50

FEMA3591 | THEOBROMINE

Refractive index 1.6700 (estimate)

Flash point 290-295°C

Storage conditions Inert atmosphere,Room Temperature

Solubility H2O: slightly soluble

Acidity coefficient (pKa)7.89(at 18℃)

Form solid

Color white

The Odor was odorless

The water is slightly soluble, <0.1 g/100 mL at 18 oC

Sublimation point 290-295 oC

Merck14, 9282

BRN16464

InChIKeyYAPQBXQYLJRXSA-UHFFFAOYSA-N

LogP - 0.78 -

Safety information

hazard symbol (GHS)GHS hazard pictogramsGHS hazard pictograms

GHS07,GHS08

Warning word

Hazard Description H302-H319-H351

Precautions P201-P202-P264-P301+P312-P305+P351+P338-P308+P313

Danger category code 22-36/37/38-39/23/24/25-23/24/25-11

Safety Instructions 22-24/25-36-26-45-36/37-16-7

Dangerous goods transport number UN1230-class 3-PG 2-Methanol, solution

WGK Germany1

RTECS number XH2275000

F10-23

TSCAYes

Customs Code 29399990