1-Allyl-3-isobutyl-8-methylxanthine

Modify Date: 2025-08-25 17:17:43

1-Allyl-3-isobutyl-8-methylxanthine Structure
1-Allyl-3-isobutyl-8-methylxanthine structure
 Common Name 1-Allyl-3-isobutyl-8-methylxanthine
CAS Number 81250-17-1 Molecular Weight 262.30800
Density 1.195g/cm3 Boiling Point 480.8ºC at 760 mmHg
Molecular Formula C13H18N4O2 Melting Point N/A
MSDS N/A Flash Point 244.6ºC

 Names

Name 8-methyl-3-(2-methylpropyl)-1-prop-2-enyl-7H-purine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.195g/cm3
Boiling Point 480.8ºC at 760 mmHg
Molecular Formula C13H18N4O2
Molecular Weight 262.30800
Flash Point 244.6ºC
Exact Mass 262.14300
PSA 72.68000
LogP 1.03670
Index of Refraction 1.558

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8438527
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-(2-propenyl )-
CAS REGISTRY NUMBER :
81250-17-1
LAST UPDATED :
199806
DATA ITEMS CITED :
2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
17 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4581451
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
49 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4581451

 Synonyms

1-allyl-3-isobutyl-8-methyl xanthine
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