5-ethyl-2-thiophene carboxaldehyde
 
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IUPAC name :5-ethylthiophene-2-carbaldehyde
InChI :InChI=1/C7H8OS/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3
InChIKey :CLQXZICUPGZTPE-UHFFFAOYAS
SMILES :CCC1=CC=C(S1)C=O
(EINECS) number :253-252-0
cas number :36880-33-8
fl. number :15.074
molar refractivity :40.93 ± 0.3 cm3
parachor :312.0 ± 4.0 cm3
index of refraction :1.577 ± 0.02
surface tension :40.9 ± 3.0 dyne/cm
density :1.136 ± 0.06 g/cm3
polarizability :16.22 ± 0.5 10-24cm3
xlogp : 0.80
molecular weight : 140.2028200
formula :C7 H8 O S
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
like benzaldehyde
properties : 
appearence :pale yellow to brown clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 225.00 - 227.00 °C. @ 760.00 mm Hg
boiling point : 65.00 °C. @ 2.00 mm Hg
logp : 2.01
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 193.00  °F.  TCC  ( 89.44 °C. )
  
recommendation for 5-ethyl-2-thiophene carboxaldehyde usage levels up to :
  0.0500 % in the fragrance concentrate.
  
recommendation for 5-ethyl-2-thiophene carboxaldehyde usage levels up to :
  20.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :253-252-0
chemidplus :036880338
epa-srs :36880-33-8
  
other : 
 
references : 
pubchem :747357
  
synonyms :
5-ethyl thiophene-2-carbaldehyde
5-ethyl-2-thiophene carboxaldehyde
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 cherry
 meat
 nut
natural occurrence in :
found in nature



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