Bergaptol

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Names

[ CAS No. ]:
486-60-2

[ Name ]:
Bergaptol

[Synonym ]:
4-hydroxyfuranocoumarin
5-Hydroxypsoralen
4-hydroxyfuro[3,2-g]chromen-7-one
4-Hydroxy7H-furo[3,2-g][1]benzopyran-7-one,4-Hydroxybergapten,5-Hydroxy-6,7-furanocoumarin
xanthotoxol
5-Hydroxyfuranocoumarin
7H-Furo[3,2-g][1]benzopyran-7-one, 4-hydroxy-
Psoralin,5-hydroxy
4-Hydroxy-7H-furo[3,2-g]chromen-7-one
Bergaptol
9-hydroxyfuranocoumarin

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
311.9±11.0 °C at 760 mmHg

[ Melting Point ]:
287-290ºC

[ Molecular Formula ]:
C11H6O4

[ Molecular Weight ]:
202.163

[ Flash Point ]:
142.4±19.3 °C

[ Exact Mass ]:
202.026611

[ PSA ]:
63.58000

[ LogP ]:
0.93

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.711

[ Storage condition ]:
2-8°C

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
22-36

[ Safety Phrases ]:
22-24/25

[ RIDADR ]:
NONH for all modes of transport

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Bergapten
  • Notopterol
  • Notoptol
  • Isoimperatorin
  • Bergaptol-beta-glucopyranoside
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[3-[2-(3,3-dimethyloxiranyl)ethyl]-3-methyloxiranyl]methoxy]
  • 6',7'-Dihydroxybergamottin
  • Bergamotine

DownStream

  • Isobergapten
  • Bergapten
  • Isoimperatorin
  • PAP-1
  • Oxypeucedanin
  • Bergamotine
  • 6',7'-DIHYDROXYBERGAMOTTIN
  • Oxypeucedanin hydrate
  • (7-oxofuro[3,2-g]chromen-4-yl) acetate
  • Psoralen quinone

Articles

Application of the equivalency factor concept to the phototoxicity and –genotoxicity of furocoumarin mixtures

Food Chem. Toxicol. 68 , 257-66, (2014)

• The photo-cytotoxic, -mutagenic, and -clastogenic properties in V79 cells of thirteen furocoumarins (FCs), were analyzed. • Nine FC mixtures including one mixture ‘representing’ FCs in Angelica arch...


More Articles

Related Compounds

  • Bergaptol-O-glucopyranoside
  • 8-(1,1-dimethylallyl)bergaptol
  • O-[3-(2,2-dimethyl-3-oxo-2H-furan-5-yl)butyl]bergaptol
  • (E)-4-(Dimethylamino)-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]but-2-enamide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 3-[2-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4H-1,2,4-oxadiazol-5-one
  • 5-(1-methyl-1H-indol-4-yl)-1H-pyrazol-3-amine
  • 5-(2-(Ethoxycarbonyl)cyclopropyl)-2-fluoro-4-methylbenzoic acid
  • 5-amino-1-phenyl-N-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide
  • N-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}methyl)but-2-ynamide