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
  • 5-Chloro-6-(4-morpholinyl)-4-pyrimidinecarboxylic acid
  • 9H-fluoren-9-ylmethyl N,N-bis(2-chloro-2-oxoethyl)carbamate
  • 8-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
  • [4-(3-Hydroxy-oxetan-3-yl)-phenyl]-carbamic acid tert-butyl ester
  • 2,2-Difluoro-2-(pyridin-4-yl)-ethanol
  • 4-(1-Aminobutyl)-2-chloroaniline
  • 1-(8-Fluoro-2-methylquinolin-3-yl)ethanone
  • Hexahydro-I+/--(1-methyl-1H-pyrazol-4-yl)-1H-1,4-diazepine-1-acetic acid
  • Methyl 2-(2-chloro-5-methoxy-4-nitrophenoxy)acetate
  • 2-(4-Amino-3-methylpyrazol-1-yl)-1-morpholin-4-ylethanone
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