furfuryl methyl ether
 
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IUPAC name :2-(methoxymethyl)furan
InChI :InChI=1/C6H8O2/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3
InChIKey :GANSPRKOWQQXPE-UHFFFAOYAU
SMILES :COCC1=CC=CO1
(EINECS) number :237-176-5
cas number :13679-46-4
fema number :3159
coe number :10944
jecfa number :1520
fl. number :13.052
molar refractivity :29.84 ± 0.3 cm3
parachor :257.5 ± 4.0 cm3
index of refraction :1.448 ± 0.02
surface tension :28.5 ± 3.0 dyne/cm
density :1.006 ± 0.06 g/cm3
polarizability :11.83 ± 0.5 10-24cm3
xlogp : 0.40
molecular weight : 112.1265200
formula :C6 H8 O2
 
 
fda reg :unspecified h. number :unspecified
 
organoleptics : 
odor type :coffee
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
roasted coffee
properties : 
appearence :colorless to yellow clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.01300 - 1.01900 @ 25.00 °C.
pounds per gallon - calc. : 8.429 to 8.479
refractive index :1.45400 - 1.46000 @ 20.00 °C.
boiling point : 108.00 - 109.00 °C. @ 750.00 mm Hg
boiling point : 131.00 - 132.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 1.14
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 72.00  °F.  TCC  ( 22.22 °C. )
  
recommendation for furfuryl methyl ether usage levels up to :
  0.0500 % in the fragrance concentrate.
  
recommendation for furfuryl methyl ether usage levels up to :
  2.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :237-176-5
chemidplus :013679464
epa-srs :13679-46-4
dtp/nci :35554
  
other : 
 
references : 
jecfa number :1520
fl. number :13.052
pubchem :198050
NIST Chemistry WebBook :559629623
  
synonyms :
 furfuryl methyl ether
2-furfuryl methyl ether
2-methoxymethyl furan
2-(methoxymethyl) furan
 methyl furfuryl ether
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
2-acetyl furan
2-acetyl pyrazine
 benzothiazole
 benzyl mercaptan
 butyl mercaptan
 caramel furanone
 caramel furanone 3% in pg
 cocoa pyrazine
 coffee difuran
 coffee dione
 coffee pyrazine
 dicyclohexyl disulfide
 difurfuryl ether
 difurfuryl sulfide
 diisoamyl thiomalate
2,3-dimethyl pyrazine
2,6-dimethyl pyrazine
2,4-dimethyl thiazole
4,5-dimethyl-2-ethyl-3-thiazoline
2,5-dimethyl-3-thiofuroyl furan
 ethyl 3-(furfuryl thio) propionate
 ethyl methyl sulfide
S-ethyl thioacetate
2-ethyl-3,5(6)-dimethyl pyrazine mixture
 filbert heptenone
 furfuryl alcohol
 furfuryl isopropyl sulfide
 furfuryl mercaptan
 furfuryl propionate
1-furfuryl pyrrole
 furfuryl thioacetate
S-furfuryl thioformate
 furfuryl thiopropionate
1-hydroxy-2-butanone
 menthofuran
2-methyl 3-(methyl thio) furan 10% in triacetin
2-methyl 5-(methyl thio) furan
2-methyl butyraldehyde
 methyl cyclopentenolone
 methyl furfuryl disulfide
2-methyl quinoxaline
5-methyl quinoxaline
2-methyl thio-3,5 or 6-methyl pyrazine
2-methyl-3-,5 or 6-(furfuryl thio) pyrazine
2-methyl-5-isopropyl pyrazine
2,3,5,6-tetramethyl pyrazine
2-thienyl mercaptan
2-thiophene thiol
2,4,5-trimethyl thiazole
2,6-xylenol
(odor and/or flavor) used in :
 coffee
natural occurrence in :
coffee roasted coffee
data pagelavender oil spike spain @ 0.024%



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