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Dayang Chem (Hangzhou) Co., Ltd.
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Product Name: 1-Allyl-3-isobutyl-8-methylxanthine
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81250-17-1

81250-17-1 structure

81250-17-1 structure

Name: 1-Allyl-3-isobutyl-8-methylxanthine
Chemical Name: 8-methyl-3-(2-methylpropyl)-1-prop-2-enyl-7H-purine-2,6-dione
CAS Number: 81250-17-1
Molecular Formula: C₁₃H₁₈N₄O₂
Molecular Weight: 262.30800
Create Date: 2016-06-19 10:54:03
Modify Date: 2025-08-25 17:17:43

Name	8-methyl-3-(2-methylpropyl)-1-prop-2-enyl-7H-purine-2,6-dione
Synonyms	1-allyl-3-isobutyl-8-methyl xanthine

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

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

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