1-Isoamyl theobromine

Modify Date: 2024-02-03 11:29:40

1-Isoamyl theobromine Structure
1-Isoamyl theobromine structure
Common Name 1-Isoamyl theobromine
CAS Number 1024-65-3 Molecular Weight 250.29700
Density 1.27g/cm3 Boiling Point 436.1ºC at 760mmHg
Molecular Formula C12H18N4O2 Melting Point N/A
MSDS N/A Flash Point 217.6ºC

 Names

Name 3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.27g/cm3
Boiling Point 436.1ºC at 760mmHg
Molecular Formula C12H18N4O2
Molecular Weight 250.29700
Flash Point 217.6ºC
Exact Mass 250.14300
PSA 61.82000
LogP 0.47980
Vapour Pressure 8.29E-08mmHg at 25°C
Index of Refraction 1.613

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH2390000
CHEMICAL NAME :
Theobromine, 1-isopentyl-
CAS REGISTRY NUMBER :
1024-65-3
LAST UPDATED :
199009
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C12-H18-N4-O2
MOLECULAR WEIGHT :
250.34
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 F1 HY2&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
772 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 116,343,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
222 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 116,343,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 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

 Synonyms

1-Isoamyl-3,7-dimethylxanthine
Theobromine,1-isopentyl
1-Isoamyltheobromine
Top Suppliers:I want be here

Get all suppliers and price by the below link:

1-Isoamyl theobromine suppliers

1-Isoamyl theobromine price