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Theobromin

Theobromine Struktur
83-67-0
CAS-Nr.
83-67-0
Bezeichnung:
Theobromin
Englisch Name:
Theobromine
Synonyma:
3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione;3,7-DIMETHYLXANTHINE;Theobromin;3,7-dimethyl-1H-purine-2,6(3H,7H)-dione;Caffeine Impurity D;3,7-dimethylpurine-2,6-dione;2,6-DIHYDROXY-3,7-DIMETHYL-PURINE;3,7-dihydro-3,7-dimethyl-1h-purine-6-dione;3,7-dihydro-3,7-dimethyl-1h-purine-2,6-dione;3,7-Dimethylxanthine-[13C4,15N3] (Theobromine)
CBNumber:
CB7753381
Summenformel:
C7H8N4O2
Molgewicht:
180.16
MOL-Datei:
83-67-0.mol

Theobromin Eigenschaften

Schmelzpunkt:
345-350 °C
Siedepunkt:
312.97°C (rough estimate)
Dichte
1.50
Brechungsindex
1.6700 (estimate)
FEMA 
3591 | THEOBROMINE
Flammpunkt:
290-295°C
storage temp. 
Inert atmosphere,Room Temperature
L?slichkeit
H2O: slightly soluble
Aggregatzustand
solid
pka
7.89(at 18℃)
Farbe
white
Geruch (Odor)
odorless
Wasserl?slichkeit
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
Kosmetik-Inhaltsstoffe Funktionen
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 Datenbank
83-67-0(CAS DataBase Reference)
IARC
3 (Vol. 51) 1991
NIST chemische Informationen
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-(83-67-0)
EPA chemische Informationen
Theobromine (83-67-0)
Sicherheit
  • Risiko- und Sicherheitserkl?rung
  • Gefahreninformationscode (GHS)
Kennzeichnung gef?hrlicher Xn,Xi,T,F
R-S?tze: 22-36/37/38-39/23/24/25-23/24/25-11
S-S?tze: 22-24/25-36-26-45-36/37-16-7
RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany  1
RTECS-Nr. XH2275000
10-23
TSCA  TSCA listed
HS Code  29399990
Speicherklasse 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Giftige Stoffe Daten 83-67-0(Hazardous Substances Data)
Bildanzeige (GHS) Exclamation Mark (GHS07)Health Hazard (GHS08)
Alarmwort Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H302 Gesundheitssch?dlich bei Verschlucken. Akute Toxizit?t oral Kategorie 4 Warnung P264, P270, P301+P312, P330, P501
H319 Verursacht schwere Augenreizung. Schwere Augenreizung Kategorie 2 Warnung P264, P280, P305+P351+P338,P337+P313P
H351 Kann vermutlich Krebs verursachen. Karzinogenit?t Kategorie 2 Warnung P201, P202, P281, P308+P313, P405,P501
Sicherheit
P201 Vor Gebrauch besondere Anweisungen einholen.
P202 Vor Gebrauch alle Sicherheitshinweise lesen und verstehen.
P264 Nach Gebrauch gründlich waschen.
P264 Nach Gebrauch gründlich waschen.
P301+P312 BEI VERSCHLUCKEN: Bei Unwohlsein GIFTINFORMATIONSZENTRUM/Arzt/... (geeignete Stelle für medizinische Notfallversorgung vom Hersteller/Lieferanten anzugeben) anrufen.
P305+P351+P338 BEI KONTAKT MIT DEN AUGEN: Einige Minuten lang behutsam mit Wasser spülen. Eventuell vorhandene Kontaktlinsen nach M?glichkeit entfernen. Weiter spülen.
P308+P313 BEI Exposition oder falls betroffen: ?rztlichen Rat einholen/?rztliche Hilfe hinzuziehen.

Theobromin Chemische Eigenschaften,Einsatz,Produktion Methoden

R-S?tze Betriebsanweisung:

R22:Gesundheitssch?dlich beim Verschlucken.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.

S-S?tze Betriebsanweisung:

S22:Staub nicht einatmen.
S24/25:Berührung mit den Augen und der Haut vermeiden.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.

Beschreibung

Theobromine is a methylxanthine alkaloid and derivative of caffeine that has been found in cocoa beans and has diverse biological activities. It is an adenosine A1 receptor antagonist (IC50s = 200-280 μM in radioligand binding assays using rat brain membranes). Theobromine (150 μg/ml) increases AMPK phosphorylation and inhibits adipocyte differentiation, ERK and JNK phosphorylation, and IL-6 and TNF-α production in 3T3-L1 preadipocytes cultured in differentiation medium. It inhibits decreases in renal cortex SIRT1 activity and increases in NADPH oxidase-dependent reactive oxygen species (ROS) production, as well as reduces kidney hypertrophy and albuminuria in a spontaneously hypertensive rat model of streptozotocin-induced diabetes when administered at a dose of 5 mg/kg per day. Theobromine is toxic to dogs with an LD50 value of 250 to 500 mg/kg.

Chemische Eigenschaften

A methyl xanthine similar to caffeine. Theobromine has a bitter taste.

Occurrence

Reported found in cocoa bean, cocoa powder, cola nut and tea.

Definition

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

Allgemeine Beschreibung

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

Air & Water Reaktionen

Insoluble in water.

Reaktivit?t anzeigen

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.

Brandgefahr

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

Sicherheitsprofil

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.

l?uterung methode

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.]

Einzelnachweise

Biltz, Max., Annalen, 423,320 (1921)
Dubosc., Chem. Zentr., IV, 956 (1932)
Gepner, Kreps., Chem. Abstr., 41,96 (1947)
Bohinc, Korber-Smid, J agodic., Farm. Vestn., (Ljubljana), 23, 143 (1972)

Theobromin Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte


Theobromin Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.

Global( 549)Lieferanten
Firmenname Telefon E-Mail Land Produktkatalog Edge Rate
Hebei Conchain Biotech Co.,Ltd
+86-13630830762 +86-13630830762
2415217937@qq.com China 135 58
Hebei Yanxi Chemical Co., Ltd.
+8618531123677
faithe@yan-xi.com China 5853 58
Guangzhou Tengyue Chemical Co., Ltd.
+86-86-18148706580 +8618826483838
evan@tyvovo.com China 143 58
Henan Fengda Chemical Co., Ltd
+86-371-86557731 +86-13613820652
info@fdachem.com China 20122 58
Shaanxi Xianhe Biotech Co., Ltd
+86-17709210191; +8617709210191
Jerry@xhobio.com China 906 58
Capot Chemical Co.,Ltd.
+86-(0)57185586718 +86-13336195806
sales@capot.com China 29640 60
Nanjing ChemLin Chemical Industry Co., Ltd.
025-83697070
product@chemlin.com.cn CHINA 3009 60
Nanjing Finetech Chemical Co., Ltd.
025-85710122 17714198479
sales@fine-chemtech.com CHINA 885 55
career henan chemical co
+86-0371-86658258 +8613203830695
sales@coreychem.com China 29815 58
Shaanxi Yikanglong Biotechnology Co., Ltd.
17791478691
yklbiotech@163.com CHINA 296 58

83-67-0(Theobromin)Verwandte Suche:


  • 3,7-dimethyl-xanthin
  • 6-dione,3,7-dihydro-3,7-dimethyl-1H-Purine-2
  • Diurobromine
  • Santheose
  • SC 15090
  • sc15090
  • Teobromin
  • Theosalvose
  • Theostene
  • Thesal
  • Theobromine solution
  • Cocoa Extract/Theobromine
  • Theobromide
  • THEOBROMINE CRYSTALLINE
  • 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-
  • THEOBROMINE(SH)
  • 3,7-DIMETHYLXANTHINE NF
  • NSC 5039
  • Thesodate
  • Xanthine, 3,7-dimethyl-
  • LABOTEST-BB LT00000138
  • FEMA 3591
  • AKOS 91967
  • TheobroMine, EP
  • TheobroMine (3,7-DiMethylxanthine)
  • 2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dimethylxanthine
  • THEOBROMINE,100/MLINMETHANOL
  • Theobromine,99%
  • Theobromine
  • Theobromine,2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dimethylxanthine
  • Methanol(Test:Theobromine,100 ug/mL)
  • Theophylline-ethylenediamine EP Impurity G
  • Theophylline-ethylenediamine Impurity 7(Theophylline-ethylenediamine EP Impurity G)
  • Theobromine Solution, 100ppm
  • Theobromine, 98%, bronchodilator and vasodilator
  • High Purity Theobromine manufacturer CAS NO.83-67-0
  • Caffeine Impurity 4(Caffeine EP Impurity D)
  • Pentoxifylline Impurity 1(Pentoxifylline EP Impurity A)
  • Theobromine CRS
  • Theobromine (Theophylline-ethylenediamine EP Impurity G, Caffeine EP Impurity D)
  • Theobromine USP/EP/BP
  • 3,7-dihydro-3
  • 3,7-Dihydro-3,7-Dimethyl-lH-purine-2,6-Dione or Theobromine
  • Pentoxifylline EP Impurity A (Theobromine)
  • Theobromine cacao extract
  • 2,6-DIHYDROXY-3,7-DIMETHYL-PURINE
  • 3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
  • g . 3,7-d i me th yl-3,7-d i h yd ro-1h -puri ne -2,6-d i one (th e ob romi ne ).
  • 13C,2H3]-Theobromine
  • Theobromine (8CI)
  • Theophylline-Ethylenediamine EP Impurity G (Caffeine EP Impurity D, Theobromine)
  • Caffeine Related Compound D (20 mg) (3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione)
  • Theobromine-RM
  • Caffeine EP impurity D(Pentoxifylline EP Impurity A)
  • Theobromine 0.1 mg/ml in Methanol
  • Green tea (Camellia sinensis) leaves - Catechins and xanthines
  • Green tea-containing solid oral dosage form - Catechins, xanthines and toxic elements
  • Green tea (Camellia sinensis) extract - Catechins and xanthines
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