ChemicalBook--->CAS DataBase List--->482-48-4

482-48-4

482-48-4 Structure

482-48-4 Structure
IdentificationBack Directory
[Name]

ISOBERGAPTEN
[CAS]

482-48-4
[Synonyms]

AKOS 244-72
ISOBERGAPTEN
Isobergaptene
5-Methoxyangelicin
ISOBERGATEN WITH HPLC
ISOBERGAPTEN WITH HPLC
Isobergaptol methyl ether
5-HYDROXYANGELICIN METHYL ETHER
5-Methoxy-2H-furo[2,3-h]chroMen-2-one
5-Methoxy-2H-furo[2,3-h]-1-benzopyran-2-one
2H-Furo[2,3-h]-1-benzopyran-2-one,5-methoxy-
Isobergapten, 98%, from Notopterygium incisum C. T. Ting ex H. T. Chang
[Molecular Formula]

C12H8O4
[MDL Number]

MFCD00016756
[MOL File]

482-48-4.mol
[Molecular Weight]

216.19
Chemical PropertiesBack Directory
[Melting point ]

222°C
[Boiling point ]

412.4±45.0 °C(Predicted)
[density ]

1.368
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[color ]

White to Off-White
[Water Solubility ]

insoluble in water
[InChI]

1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3
[InChIKey]

AJSPSRWWZBBIOR-UHFFFAOYSA-N
[SMILES]

[o]1c2c(c3c(c(c2)OC)C=CC(=O)O3)cc1
[LogP]

2.340 (est)
[EPA Substance Registry System]

2H-Furo[2,3-h]-1-benzopyran-2-one, 5-methoxy- (482-48-4)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

White needle-shaped crystals, soluble in organic solvents such as methanol, ethanol, DMSO, etc., derived from bergamot, northern adenophora, and Notopterygium wilfordii.
[Uses]

antifungal,
[Definition]

ChEBI: Isobergapten is a furanocoumarin.
Spectrum DetailBack Directory
[Spectrum Detail]

ISOBERGAPTEN(482-48-4)MS
ISOBERGAPTEN(482-48-4)1HNMR
ISOBERGAPTEN(482-48-4)IR1
ISOBERGAPTEN(482-48-4)IR2
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