furfuryl alcohol
 
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IUPAC name :furan-2-ylmethanol
InChI :InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
InChIKey :XPFVYQJUAUNWIW-UHFFFAOYAV
SMILES :C1=COC(=C1)CO
(EINECS) number :202-626-1
eu annex :603-018-00-2
cas number :98-00-0
beilstein number :0106291
fema number :2491
coe number :2023
jecfa number :451
fl. number :13.019
molar refractivity :25.00 ± 0.3 cm3
parachor :214.7 ± 4.0 cm3
index of refraction :1.492 ± 0.02
surface tension :38.8 ± 3.0 dyne/cm
density :1.140 ± 0.06 g/cm3
polarizability :9.91 ± 0.5 10-24cm3
xlogp : -0.10
molecular weight : 98.0999400
formula :C5 H6 O2
BioActivity Analysis :48413803
 
 
fda reg :175.105 h. number :2932.13.0000
organoleptics : 
odor type :bready
odor strength :medium
odor description :
at 100.00 %.  
alcoholic chemical musty sweet caramel bread coffee
taste description³ :at 50.00 ppm.  
Burnt, sweet, caramellic, brown
substantivity :44  Hour(s)
properties : 
appearence :yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.12800 - 1.13700 @ 25.00 °C.
pounds per gallon - calc. : 9.386 to 9.461
refractive index :1.47600 - 1.48700 @ 20.00 °C.
melting point : -29.00 - -28.00 °C. @ 760.00 mm Hg
boiling point : 169.00 - 170.00 °C. @ 760.00 mm Hg
boiling point : 96.00 - 97.00 °C. @ 50.00 mm Hg
logp : 0.28
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    177.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  400.00  mg/kg    
  
flash point ( Deg. F. ) : 149.00  °F.  TCC  ( 65.00 °C. )
  
recommendation for furfuryl alcohol usage levels up to :
  0.5000 % in the fragrance concentrate.
  
recommendation for furfuryl alcohol usage levels up to :
  50.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :202-626-1
rtecs :LU9100000 for 98-00-0
chemidplus :000098000
epa-srs :98-00-0
dtp/nci :8843
  
other : 
 
references : 
pubchem :150425
NIST Chemistry WebBook :943836776
  
reference : Mosciano, Gerard P&F 15, No. 2, 69, (1990)³
synonyms :
2-furan carbinol
2-furan methanol
2-furanyl methanol
 furfural alcohol
 furfuralcohol
 furfuranol
 furfuryl alcohol
2-furfuryl alcohol
 furfuryl carb
2-furyl carbinol
alpha-furyl carbinol
2-furyl methanol
2-hydroxymethyl furan
5-hydroxymethyl furan
soluble in :
 alcohol
 water, 1000000 mg/L @ 25C
(odor and/or flavor) used in :
 bacon
 beer
 brandy
 bread
 caramel
 chocolate cocoa
 coffee
 ham
 malt
 molasses
 sugar brown sugar
natural occurrence in :
beer 97290 ppm
bread
cocoa
coffee roasted 575040 ppm
data pageketaki flower oil india @ trace%
data pagelavender oil spike spain @ 1.264%
potato chip 9 ppm
data pagethyme oil spain @ 0.20%



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