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Basic Information
CAS No.: 4063-41-6
Name: 4,5'-dimethylangelicin
Article Data: 1
Molecular Structure:
Molecular Structure of 4063-41-6 (4,5'-dimethylangelicin)
Formula: C13H10 O3
Molecular Weight: 214.221
Synonyms: 5-Benzofuranacrylicacid, 4-hydroxy-b,2-dimethyl-,d-lactone (6CI,7CI);4,8-Dimethylisopsoralen; NSC 627260
Density: 1.273g/cm3
Melting Point: 182-183 °C
Boiling Point: 381.5°Cat760mmHg
Flash Point: 184.5°C
Safety: Questionable carcinogen. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
PSA: 43.35000
LogP: 3.15600
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    4,5'-DIMETHYLANGELICIN

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    4,5'-DIMETHYLANGELICINAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

IUPAC Name: 4,8-Dimethylfuro[2,3-h]chromen-2-one
Synonyms of 4,5'-Dimethyl angelicin (CAS NO.4063-41-6) : 4,5'-Dimethyl angelicin ; 4,8-Dimethyl-2H-furo(2,3-h)-1-benzopyran-2-one ; 4,8-Dimethylisopsoralen ; 5-Benzofuranacrylic acid, 4-hydroxy-beta,2-dimethyl-, delta-lactone ; 2H-Furo(2,3-h)(1)benzopyran-2-one, 4,8-dimethyl-
CAS NO:4063-41-6
Molecular Formula:C13H10O3
Molecular Weight :214.216700 g/mol
Molecular Structure :
Index of Refraction: 1.624 
Surface Tension: 46.9 dyne/cm
Density: 1.273 g/cm3
Flash Point: 184.5 °C
Enthalpy of Vaporization: 62.98 kJ/mol
Boiling Point: 381.5 °C at 760 mmHg
Vapour Pressure: 5.05E-06 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   United States Patent Document. Vol. #4312883,

Consensus Reports

IARC Cancer Review: Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 40 ,1986,p. 291.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Safety Profile

Questionable carcinogen. Mutation data reported. When 4,5'-Dimethyl angelicin (CAS NO.4063-41-6)  is heated to decomposition, it emits acrid smoke and fumes.