Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1-Ethyl theobromine
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

39832-36-5

39832-36-5 structure

Name: 1-Ethyl theobromine
Chemical Name: 1-ethyl-3,7-dimethylpurine-2,6-dione
CAS Number: 39832-36-5
Molecular Formula: C₉H₁₂N₄O₂
Molecular Weight: 208.21700
Create Date: 2016-11-09 16:54:13
Modify Date: 2024-01-09 20:49:03

Name	1-ethyl-3,7-dimethylpurine-2,6-dione
Synonyms	1-Ethyl-3,7-dimethyl-xanthine Theobromine,1-ethyl 1H-Purine-2,6-dione,1-ethyl-3,7-dihydro-3,7-dimethyl 1-ethyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione 1-Ethyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione 1-Aethyl-3,7-dimethyl-3,7-dihydro-purin-2,6-dion 1-Ethyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione 1-Ethyl theobromine 3,7-dimethyl-1-ethyl-xanthine ethyl-1 dimethyl-3,7-xanthine

Density	1.39g/cm3
Boiling Point	420.9ºC at 760 mmHg
Molecular Formula	C₉H₁₂N₄O₂
Molecular Weight	208.21700
Flash Point	208.4ºC
Exact Mass	208.09600
PSA	61.82000
Index of Refraction	1.656

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH2380000

CHEMICAL NAME :: Theobromine, 1-ethyl-

CAS REGISTRY NUMBER :: 39832-36-5

BEILSTEIN REFERENCE NO. :: 0225307

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H12-N4-O2

MOLECULAR WEIGHT :: 208.25

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1 F1 H2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 61 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,113,1946

74-96-4

83-67-0

~72%

39832-36-5

Literature: Hedayatullah, Mir Journal of Heterocyclic Chemistry, 1982 , vol. 19, p. 249 - 251

83-67-0

75-03-6

~3%

39832-36-5

Literature: Bier, Dirk; Hartmann, Rudolf; Holschbach, Marcus Rapid Communications in Mass Spectrometry, 2013 , vol. 27, # 8 p. 885 - 895

16017-78-0

39832-36-5

Literature: Kowalska, Alicja; Maslankiewicz, Andrzej; Syrek, Barbara; Cieplinski, Piotr Monatshefte fuer Chemie, 1985 , vol. 116, p. 341 - 352

75-03-6

39832-36-5

Literature: Biltz; Max Justus Liebigs Annalen der Chemie, 1921 , vol. 423, p. 320

64-67-5

83-67-0

39832-36-5

Literature: Biilmann; Berg Chemische Berichte, 1930 , vol. 63, p. 2188,2202

83-67-0

80-40-0

39832-36-5

Literature: Rodionow Bulletin de la Societe Chimique de France, 1926 , vol. <4> 39, p. 318 Bulletin de la Societe Chimique de France, 1929 , vol. <4> 45, p. 119

Precursor 6
74-96-4 83-67-0 75-03-6 16017-78-0
64-67-5 80-40-0
DownStream 2
74-89-5 7664-41-7

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