Theobromine

$5 - $2600

Price

Brand	Packaging	Price	Product name
aablocks AA008IJ0	10g	$15	3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
aablocks AA008IJ0	25g	$23	3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
aablocks AA008IJ0	100g	$42	3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
AK Scientific J52741	25g	$24	Theobromine
AK Scientific Q815	5g	$18	Theobromine
AK Scientific Q815	25g	$34	Theobromine
AK Scientific J52741	5g	$13	Theobromine
AK Scientific J52741	100g	$62	Theobromine
AK Scientific J10550	25mg	$67	Theobromine
AK Scientific Q815	100g	$89	Theobromine

1of10

Melting point	345-350 °C
Boiling point	312.97°C (rough estimate)
Density	1.50
refractive index	1.6700 (estimate)
FEMA	3591 \| THEOBROMINE
Flash point	290-295°C
storage temp.	Inert atmosphere,Room Temperature
solubility	H₂O: slightly soluble
form	solid
pka	7.89(at 18℃)
color	white
Odor	odorless
Water Solubility	slightly soluble, <0.1 g/100 mL at 18 ºC
Sublimation	290-295 ºC
Merck	14,9282
BRN	16464
Henry's Law Constant	6.2×10⁵ mol/(m³Pa) at 25℃, HSDB (2015)
Major Application	clinical testing
Cosmetics Ingredients Functions	SKIN CONDITIONING FRAGRANCE
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)
InChIKey	YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES	[n]1(c2nc[n](c2[c]([nH][c]1=O)=O)C)C
LogP	-0.78
CAS DataBase Reference	83-67-0(CAS DataBase Reference)
IARC	3 (Vol. 51) 1991
NIST Chemistry Reference	1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-(83-67-0)
EPA Substance Registry System	Theobromine (83-67-0)