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Theobromine

Theobromine
Theobromine
CAS No.
83-67-0
Chemical Name:
Theobromine
Synonyms
Thesal;sc15090;SC 15090;NSC 5039;Teobromin;Santheose;Theostene;Thesodate;FEMA 3591;AKOS 91967
CBNumber:
CB7753381
Molecular Formula:
C7H8N4O2
Formula Weight:
180.16
MOL File:
83-67-0.mol

Theobromine Properties

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. 
Refrigerator
solubility 
H2O: slightly soluble
pka
7.89(at 18℃)
form 
solid
color 
white
Water Solubility 
slightly soluble, <0.1 g/100 mL at 18 ºC
Sublimation 
290-295 ºC
Merck 
14,9282
BRN 
16464
InChIKey
YAPQBXQYLJRXSA-UHFFFAOYSA-N
CAS DataBase Reference
83-67-0(CAS DataBase Reference)
NIST Chemistry Reference
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-(83-67-0)
EPA Substance Registry System
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-(83-67-0)
SAFETY
  • Risk and Safety Statements
  • Hazard and Precautionary Statements (GHS)
Hazard Codes  Xn,Xi,T,F
Risk Statements  22-36/37/38-39/23/24/25-23/24/25-11
Safety Statements  22-24/25-36-26-45-36/37-16-7
RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany  1
RTECS  XH2275000
10-23
TSCA  Yes
Hazardous Substances Data 83-67-0(Hazardous Substances Data)
Symbol(GHS):
Signal word: Danger
Hazard statements:
Code Hazard statements Hazard class Category Signal word Pictogram P-Codes
H225 Highly Flammable liquid and vapour Flammable liquids Category 2 Danger P210,P233, P240, P241, P242, P243,P280, P303+ P361+P353, P370+P378,P403+P235, P501
H302 Harmful if swallowed Acute toxicity,oral Category 4 Warning P264, P270, P301+P312, P330, P501
H370 Causes damage to organs Specific target organ toxicity, single exposure Category 1 Danger P260, P264, P270, P307+P311, P321,P405, P501
Precautionary statements:
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P260 Do not breathe dust/fume/gas/mist/vapours/spray.
P264 Wash hands thoroughly after handling.
P264 Wash skin thouroughly after handling.
P270 Do not eat, drink or smoke when using this product.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P311 Call a POISON CENTER or doctor/physician.
P330 Rinse mouth.
P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P501 Dispose of contents/container to..…

Theobromine price More Price(17)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 42993 Theobromine analytical standard 83-67-0 100mg $58.7 2018-11-20 Buy
Sigma-Aldrich PHR1837 Theobromine Pharmaceutical Secondary Standard; Certified Reference Material 83-67-0 100mg $110 2018-11-20 Buy
TCI Chemical T0178 Theobromine >98.0%(HPLC)(T) 83-67-0 25g $27 2018-11-22 Buy
TCI Chemical T0178 Theobromine >98.0%(HPLC)(T) 83-67-0 100g $72 2018-11-22 Buy
Alfa Aesar A11861 Theobromine, 99% 83-67-0 50g $61.8 2018-11-13 Buy

Theobromine Chemical Properties,Uses,Production

Chemical Properties

white to light yellow crystal powder

Uses

diuretic, bronchodilator, cardiotonic

Uses

A metabolite of Caffeine

Definition

ChEBI: A dimethylxanthine having the two methyl groups located at positions 3 and 7. It is a purine alkaloid derived from cocoa tree.

General Description

Odorless white crystalline powder. Bitter taste. pH (saturated solution in water): 5.5-7.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Theobromine may be sensitive to prolonged exposure to light. Theobromine has weakly acidic properties, combining with bases to forms salts. Theobromine also has even weaker basic properties, combining with acids to form salts which are decomposed in aqueous solution. .

Hazard

Toxic by ingestion. Questionable carcinogen.

Fire Hazard

Flash point data for Theobromine are not available; however, Theobromine is probably combustible.

Safety Profile

Poison by ingestion. Moderately toxic by subcutaneous route. An experimental teratogen. Human systemic effects by ingestion: central nervous system and gastrointestinal changes. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Used as a diuretic, smooth muscle relaxant, cardiac stimulant, and vasoddator.

Purification Methods

It crystallises from H2O. Its solubility in H2O is 0.06% at 15o and 1.25% at 100o, and it is poorly soluble in organic solvents. It forms salts with heavy metals and is a diuretic, vasodilator and a cardiac stimulant. [Lister Purines Part II, Fused Pyrimidines Brown Ed, Wiley-Interscience pp254-225 1971, ISBN 0-471-38205-1, Beilstein 26 H 457, 26 I 135, 26 II 264, 26 III/IV 2336.]

Theobromine Preparation Products And Raw materials

Raw materials

Preparation Products


Theobromine Suppliers

Global( 213)Suppliers
Supplier Tel Fax Email Country ProdList Advantage
Capot Chemical Co.,Ltd.
+86 (0)571-855 867 18
+86 (0)571-858 647 95 sales@capotchem.com China 19957 60
Shenzhen Sendi Biotechnology Co.Ltd.
0755-23311925 18102838259
0755-23311925 Abel@chembj.com CHINA 3218 55
Henan DaKen Chemical CO.,LTD.
+86-371-55531817
info@dakenchem.com CHINA 22080 58
Henan Tianfu Chemical Co.,Ltd.
0371-55170693
0371-55170693 info@tianfuchem.com CHINA 20795 55
Mainchem Co., Ltd.
+86-0592-6210733
+86-0592-6210733 sales@mainchem.com CHINA 32764 55
Nanjing ChemLin Chemical Industry Co., Ltd.
025-83697070;product@chemlin.com.cn
product@chemlin.com.cn CHINA 3015 60
Nanjing Finetech Chemical Co., Ltd.
025-85710122 17714198479
025-85710122 sales@fine-chemtech.com CHINA 894 55
career henan chemical co
+86-371-86658258
sales@coreychem.com CHINA 10944 58
Kono Chem Co., Ltd
+86-132 8924 6953
info@konochemical.com CHINA 2164 58
Hebei Ruishun Trade Co.,LTD
86-311-66111018
86-311-66111018 Mike@rsbiology.com CHINA 300 58

View Lastest Price from Theobromine manufacturers

Image Release date Product Price Min. Order Purity Supply Ability Manufacturer
2018-12-16 Theobromine
83-67-0
US $8.00 / kg 1kg 98% 10MT
2018-10-15 High Purity Theobromine manufacturer CAS NO.83-67-0
83-67-0
US $1.00 / G 100G 99.9% 50000 tons Hebei Ruishun Trade Co.,Ltd

Theobromine Spectrum


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