ethyl 2-furoate
 
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IUPAC name :ethyl furan-2-carboxylate
InChI :InChI=1/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChIKey :NHXSTXWKZVAVOQ-UHFFFAOYAN
SMILES :CCOC(=O)C1=CC=CO1
(EINECS) number :210-404-0
cas number :614-99-3
beilstein number :0002653
coe number :10588
fl. number :13.122
molar refractivity :34.95 ± 0.3 cm3
parachor :305.8 ± 4.0 cm3
index of refraction :1.464 ± 0.02
surface tension :34.0 ± 3.0 dyne/cm
density :1.106 ± 0.06 g/cm3
polarizability :13.85 ± 0.5 10-24cm3
xlogp : 1.10
molecular weight : 140.1366200
formula :C7 H8 O3
 
 
fda reg :unspecified h. number :2932.10.0000
organoleptics : 
odor type :balsamic
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
ethyl benzoate fruity floral
properties : 
appearence :white to yellow crystals
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.11700 @ 25.00 °C.
refractive index :1.11700 @ 20.00 °C.
melting point : 35.00 - 37.00 °C. @ 760.00 mm Hg
boiling point : 196.00 °C. @ 760.00 mm Hg
boiling point : 195.00 °C. @ 766.00 mm Hg
logp : 1.52
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 158.00  °F.  TCC  ( 70.00 °C. )
  
recommendation for ethyl 2-furoate usage levels up to :
  0.5000 % in the fragrance concentrate.
  
recommendation for ethyl 2-furoate usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :210-404-0
rtecs :LV1850000 for 614-99-3
chemidplus :001335406
epa-srs :614-99-3
dtp/nci :2304
  
other : 
 
references : 
fl. number :13.122
pubchem :158211
NIST Chemistry WebBook :1965505423
  
synonyms :
2-carboethoxyfuran
2-(ethoxycarbonyl) furan
 ethyl 2-furan carboxylate
 ethyl 2-furoate
 ethyl 2-furyl carboxylate
 ethyl furan-2-carboxylate
 ethyl pyromucate
 ethyl-2-furoate
 furan carboxylic acid ethyl ether
 furan-2-carboxylic acid ethyl ester
soluble in :
 alcohol
 water, 4210 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 balsam
 floral
 fruit
 oriental
 tropical
natural occurrence in :
not found in nature



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