angelicin
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :furo[2,3-h]chromen-2-one
InChI :InChI=1/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
InChIKey :XDROKJSWHURZGO-UHFFFAOYAC
SMILES :C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3
cas number :523-50-2
beilstein number :0153970
molar refractivity :49.90 ± 0.3 cm3
parachor :365.7 ± 6.0 cm3
index of refraction :1.667 ± 0.02
surface tension :55.5 ± 3.0 dyne/cm
density :1.389 ± 0.06 g/cm3
polarizability :19.78 ± 0.5 10-24cm3
xlogp : 1.80
molecular weight : 186.1635400
formula :C11 H6 O3
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :

properties :
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 138.00 - 139.50 °C. @ 760.00 mm Hg
boiling point : 360.00 - 362.00 °C. @ 760.00 mm Hg
logp : 2.08
shelf life : 12.00 month(s) or longer if stored properly.
Storage :refrigerate in tightly sealed containers.

safety :
Oral Toxicity(LD50) : Oral-Rat    322.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 343.00  °F.  TCC  ( 172.78 °C. )
  
recommendation for angelicin usage levels up to :
 not for fragrance use.
  

safety links :
rtecs :LV0940000 for 523-50-2
chemidplus :000523502
epa-srs :523-50-2
dtp/nci :404563
  
EPI System :Click here

other :
 

references :
pubchem :153958
NIST Chemistry WebBook :2984694048
  
synonyms :
 angecin
 angelicin
2-oxo-(2H)-furo(2,3-H)-1-benzopyran
 furo(2,3-H)coumarin
 furo(5',4':7,8)coumarin
4-hydroxy-5-benzofuran acrylic acid gamma-lactone
3-(4-hydroxy-5-benzofuranyl)-2-propenoic acid gamma-lactone
isopsoralen
soluble in :
 alcohol
 water, 860 mg/L @ 25C
insoluble in :
 water
natural occurrence in :
angelica root oil
data pageheracleum paphlagonicum czeczott fruit oil turkey @ 0.10%
data pagerue oil china @ 0.36%



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