2,5-diethyl tetrahydrofuran
 
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IUPAC name :2,5-diethyloxolane
InChI :InChI=1/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3
InChIKey :YKWLEIXVUHRKEF-UHFFFAOYAH
SMILES :CCC1CCC(O1)CC
(EINECS) number :255-274-6
cas number :41239-48-9
fema number :3743
coe number :11882
jecfa number :1453
fl. number :13.095
molar refractivity :38.70 ± 0.3 cm3
parachor :353.0 ± 4.0 cm3
index of refraction :1.413 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.827 ± 0.06 g/cm3
polarizability :15.34 ± 0.5 10-24cm3
xlogp : 2.20
molecular weight : 128.2120400
formula :C8 H16 O
 
 
fda reg :172.515 h. number :2932.19.0000
 
organoleptics : 
odor type :herbal
odor strength :medium ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
sweet herbal caramel
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82700 - 0.83300 @ 25.00 °C.
pounds per gallon - calc. : 6.881 to 6.931
refractive index :1.40100 - 1.40700 @ 20.00 °C.
boiling point : 116.00 °C. @ 760.00 mm Hg
logp : 2.37
safety : 
Oral Toxicity(LD50) : Oral-Rat    3400.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 102.00  °F.  TCC  ( 38.89 °C. )
  
recommendation for 2,5-diethyl tetrahydrofuran usage levels up to :
 not for fragrance use.
  
safety links : 
(EINECS) number :255-274-6
chemidplus :041239489
epa-srs :41239-48-9
  
other : 
 
references : 
jecfa number :1453
fl. number :13.095
pubchem :205099
  
synonyms :
2,5-diethyl oxolane
2,5-diethyl tetrahydrofuran
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 acetoin
2-acetyl-3,4,5,6-tetrahydropyridine
 allyl 2-furoate
 caramel dione
 caramel furanone
 caramel pentadione
alpha,alpha-dimethyl anisyl acetone
 ethyl 2-hydroxy-2-methyl butyrate
 ethyl cyclopentenolone
 ethyl maltol
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
 fenugreek absolute
 geranyl crotonate
 immortelle absolute
 maltol
 maltyl propionate
 maple furanone
 maple lactone
 menthone lactone
 mesitene lactone
 methyl cyclopentenolone
2-pentanoyl furan
 rosefuran
 shoyu furanone
 strawberry furanone
 toffee furanone
 tonka bean resinoid
(E,E)-2,4-undecadien-1-al
2,4-undecadien-1-al
isovaleraldehyde propylene glycol acetal
(odor and/or flavor) used in :
 caramel
 mint
natural occurrence in :
data pagemelissa oil slovak republic @ 0.08%



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Html Last modified 09/27/2008