furfuryl isovalerate
 
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IUPAC name :furan-2-ylmethyl 3-methylbutanoate
InChI :InChI=1/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
InChIKey :FKGUIBCHHSHJNQ-UHFFFAOYAG
SMILES :CC(C)CC(=O)OCC1=CC=CO1
(EINECS) number :237-171-8
cas number :13678-60-9
fema number :3283
coe number :10642
jecfa number :743
fl. number :13.057
molar refractivity :48.36 ± 0.3 cm3
parachor :419.1 ± 4.0 cm3
index of refraction :1.465 ± 0.02
surface tension :32.9 ± 3.0 dyne/cm
density :1.041 ± 0.06 g/cm3
polarizability :19.17 ± 0.5 10-24cm3
xlogp : 2.00
molecular weight : 182.2163600
formula :C10 H14 O3
 
 
fda reg :unspecified h. number :2932.10
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
berry fruity ripe
properties : 
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.01800 @ 25.00 °C.
refractive index :1.45600 @ 20.00 °C.
boiling point : 97.00 - 98.00 °C. @ 11.00 mm Hg
logp : 2.50
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 205.00  °F.  TCC  ( 96.11 °C. )
  
recommendation for furfuryl isovalerate usage levels up to :
  0.8000 % in the fragrance concentrate.
  
recommendation for furfuryl isovalerate usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :237-171-8
chemidplus :013678609
epa-srs :13678-60-9
  
other : 
 
references : 
pubchem :198047
NIST Chemistry WebBook :3777337785
  
synonyms :
2-furanyl methyl 3-methyl butanoate
 furfuryl 3-methyl butanoate
 furfuryl isovalerate
 furfuryl-2-methyl butanoate
3-methyl butanoic acid 2-furan methyl ester
3-methyl butyric acid 2-furanyl methyl ester
isovaleric acid furfuryl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 berry
 chocolate cocoa
 coffee
 fruit
 ripe
natural occurrence in :
coffee



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