1-Ethyl theobromine
Names
[ CAS No. ]:
39832-36-5
[ Name ]:
1-Ethyl theobromine
[Synonym ]:
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
Chemical & Physical Properties
[ 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
Toxicological Information
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