THEOBROMINE

PRODUCT IDENTIFICATION
CAS NO. 83-67-0

THEOBROMINE

EINECS NO. 201-494-2
FORMULA C7H8N4O2
MOL WT. 180.16

H.S. CODE

  

TOXICITY

  
SYNONYMS 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione; 3,7-Dimethylxanthine;
Teobromin; Theosalvose; Theostene; Thesal; Thesodate; 3,7-dimethylpurine-2,6-dione;
DERIVATION

 

CLASSIFICATION

  

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE white powder
MELTING POINT 357 C
BOILING POINT  
SPECIFIC GRAVITY  
SOLUBILITY IN WATER  
pH  
VAPOR DENSITY

 

REFRACTIVE INDEX

  

NFPA RATINGS

 Health: 1; Flammability: 1; Instability: 0

AUTOIGNITION

 

FLASH POINT

 

STABILITY Stable under normal conditions.

GENERAL DESCRIPTION & APPLICATIONS
Theobromine, chemically 3,7-dimethylxanthine, is the principle alkaloid in Theobroma cacao or prepared synthetically from xanthine. This substance is a member of methylated xanthine alkaloid. Caffeine (1,3,7-trimethylxanthine) and theophylline (1,3-Dimethylxanthine) are structurally and pharmacologically similar substances. Xanthine is a product on the pathway in the degradation of adenosine monophosphate to uric acid by the action of the xanthine oxidase enzyme. Xanthine also occurs complexed with ribose as xanthose. Methylated xanthines are used medicinally as a bronchodilator and as a vasodilator. They stimulates the heart and central nervous system, dilates bronchi and blood vessels, and causes diuresis. Caffeine is soluble in water and alcohol. It can be obtainable from coffee, tea, yerba mate, and guarana. It acts as an natural insecticide to protect plant themselves. Caffeine is used a central nervous system stimulant, diuretic and chemosterilant agent against stored grain pests. It is also used in the treatment of shock, asthma and heart disease. It is used for cardiac irritation, as a respiratory stimulant and diuretic in veterinary medicines. Theobromine has a weaker diuretic activity than  theophylline and a different stimulant effects on the human body from caffeine. Theobromine is a mild and lasting stimulant with a mood improving effect, whereas caffeine is a powerful and immediate effect with an awareness increase. Caffeine was synthesized by methylation of theobromine but now recovered from the solvents used in the preparation of decaffeinated coffee. Theobromine was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. Theobromine is a white powder; melting point 357 C;slightly soluble in water and in alcohol; insoluble in benzene, in ether and in chloroform. Pentoxifylline, chemically 1-(5-oxohexyl)-3, 7-dimethylxanthine, is a drug which inhibits phosphodiesterase and affects blood rheology.

Molecular compounds of Theobromine

Product

CAS RN
Protheobromine 50-39-5
Theobromine 83-67-0
Theobromine sodium 1010-59-9
Pentifylline 1028-33-7
1-Butyltheobromine 1143-30-2
Oxyethyltheobromine 1507-14-8
1-Allyltheobromine 2530-99-6
1-Theobromineacetic acid 5614-56-2
Pentoxifylline 6493-05-6
Theobromine magnesium oleate 6767-73-3
Theobromine sodium acetate 8002-88-8
Theobromine sodium salicylate 8048-31-5
1-(2,3-Dihydroxypropyl)theobromine 13460-96-3
1-Isopentyltheobromine 1024-65-3
8-Diethylaminomethyltheobromine hydrochloride 15996-31-3
1-(beta,gamma-Epoxypropyl)-8-bromotheobromine 16877-94-4
Theobromine monohydriodide 17186-95-7
1-Ethyltheobromine 39832-36-5
1-(2-(Diethylamino)ethyl)theobromine 47043-84-5
D-Propoxyphene 1-theobromineacetate 52387-20-9
1-(3-Hydroxypropyl)theobromine 59413-14-8
1-(2'-Butenyl)theobromine 63906-57-0
8-Chloro-1-(2-hydroxyethyl)theobromine nitrate 63906-59-2
1-(2-Hydroxyethyl)theobromine nitrate 63906-60-5
1-(2'-Methoxyethyl)theobromine 63906-61-6
1-(2'-Methylallyl)theobromine 63906-62-7
1-Propyltheobromine 63906-63-8
8-(Butylthio)theobromine 74039-56-8
8-(Octylthio)theobromine 74039-57-9
8-(Propylthio)theobromine 74039-58-0
1-(3-(4-(3,4-Dichlorophenyl)-1-piperazinyl)propyl)theobromine 81995-79-1
1-(5-(4-(m-Methylphenyl)-1-piperazinyl)pentyl)theobromine dihydrochloride 81996-02-3
1-(4-(4-(o-Methoxyphenyl)-1-piperazinyl)butyl)theobromine dihydrochloride 87798-82-1
1-(2-(4-(2,3-Dimethylphenyl)-1-piperazinyl)ethyl)theobromine hydrochloride 87798-88-7
1-(3-(4-(o-Chlorophenyl)-1-piperazinyl)propyl)theobromine dihydrochloride 87798-89-8
1-(4-(4-(p-Fluorophenyl)-1-piperazinyl)butyl)theobromine dihydrochloride 87798-90-1
1-(4-(4-(3,4-Dichlorophenyl)-1-piperazinyl)butyl)theobromine dihydrochloride 87798-91-2
Lisofylline 100324-81-0
8-((2-Hydroxyethyl)thio)theobromine 113512-14-4
8-((2-Aminoethyl)thio)theobromine 115050-23-2
SALES SPECIFICATION

APPEARANCE

 white to yellow crystalline powder

IDENTIFICATION

Conforms

ASSAY

99.0% min

MELTING POINT

> 350 C

SULFATED ASH

0.1% max

LOSS ON DRYING

0.5% nmax

RELATED SUBSTANCES

Conforms
TRANSPORTATION
PACKING
 
HAZARD CLASS  
UN NO.  
OTHER INFORMATION
Hazard Symbols: , Risk Phrases: , Safety Phrases: 24-25
PRICE INFORMATION

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