furfural
 
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IUPAC name :furan-2-carbaldehyde
InChI :InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
InChIKey :HYBBIBNJHNGZAN-UHFFFAOYAD
SMILES :C1=COC(=C1)C=O
(EINECS) number :202-627-7
eu annex :605-010-00-4
cas number :98-01-1
beilstein number :0105755
fema number :2489
coe number :2014
jecfa number :450
fl. number :13.018
molar refractivity :25.30 ± 0.3 cm3
parachor :206.3 ± 4.0 cm3
index of refraction :1.515 ± 0.02
surface tension :36.5 ± 3.0 dyne/cm
density :1.145 ± 0.06 g/cm3
polarizability :10.03 ± 0.5 10-24cm3
xlogp : 0.40
molecular weight : 96.0840600
formula :C5 H4 O2
BioActivity Analysis :74455
 
 
fda reg :175.105 h. number :2932.12.0000
organoleptics : 
odor type :bready
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
sweet woody almond fragrant baked bread
taste description³ :at 30.00 ppm.  
Brown, sweet, woody, bready, nutty, caramellic with a burnt astringent nuance
substantivity :4  Hour(s)
properties : 
appearence :colorless to pale yellow clear oily liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.15600 - 1.16200 @ 25.00 °C.
pounds per gallon - calc. : 9.619 to 9.669
refractive index :1.52200 - 1.52800 @ 20.00 °C.
melting point : -36.00 °C. @ 760.00 mm Hg
boiling point : 161.00 - 162.00 °C. @ 760.00 mm Hg
boiling point : 72.00 °C. @ 25.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 0.41
safety : 
most important hazard(s) : T - Toxic.
  
Oral Toxicity(LD50) : Oral-Rat    65.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  620.00  mg/kg    
  
flash point ( Deg. F. ) : 137.00  °F.  TCC  ( 58.33 °C. )
  
recommendation for furfural usage levels up to :
  0.1000 % in the fragrance concentrate.
  
recommendation for furfural usage levels up to :
  50.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :202-627-7
rtecs :LT7000000 for 98-01-1
chemidplus :000098011
epa-srs :98-01-1
dtp/nci :8841
  
other : 
 
references : 
pubchem :150426
NIST Chemistry WebBook :993960364
  
reference : Mosciano, Gerard P&F 18, No. 2, 38, (1993)³
synonyms :
2-formyl furan
2-furaldehyde
2-furan aldehyde
2-furan carbonal
2-furan carboxaldehyde
 furfural
 furfuraldehyde
2-furfuraldehyde
alpha-furfuraldehyde
 furfuryl aldehyde
2-furyl aldehyde
2-furyl carboxaldehyde
2-furyl methanal
 pyromucic aldehyde
 quakeral
soluble in :
 alcohol
 water, 77000 mg/L @ 25C
(odor and/or flavor) blends with :
2-acetyl pyrazine
 maltol
 strawberry furanone
(odor and/or flavor) used in :
 acorn
 amyris
 angelica
 beef roasted beef
 beer
 bread baked bread
 calamus
 caramel
 caraway
 cinnamon
 coffee
 cranberry
 cypress
 eucalyptus
 neroli
 nut
 orris iris
 petitgrain
 tobacco tabac tabaco leaf
 vetiver
natural occurrence in :
data pageamyris wood oil @ <0.10%
bread white bread
coffee
cranberry
data pageeschweilera coriacea (a. p. dc.) mori flower oil brazil @ 1.00%
data pagelavender oil spike spain @ 9.485%
data pagemalpighia glabra l. fruit oil @ 56.80%
data pagemastic fruit oil @ 0.04%
data pageosmanthus absolute @ trace%
potato chip
raspberry fruit
rum
tea black tea
data pagethyme oil spain @ 2.80%
whiskey malt whiskey



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