2-ethyl-4,5-dimethyl oxazole
 
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IUPAC name :2-ethyl-4,5-dimethyl-1,3-oxazole
InChI :InChI=1/C7H11NO/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3
InChIKey :LCYOFVYHDBWYSI-UHFFFAOYAV
SMILES :CCC1=NC(=C(O1)C)C
(EINECS) number :258-815-4
cas number :53833-30-0
fema number :3672
jecfa number :1555
fl. number :13.091
molar refractivity :35.84 ± 0.3 cm3
parachor :307.2 ± 4.0 cm3
index of refraction :1.460 ± 0.02
surface tension :30.4 ± 3.0 dyne/cm
density :0.956 ± 0.06 g/cm3
polarizability :14.20 ± 0.5 10-24cm3
xlogp : 1.10
molecular weight : 125.1683400
formula :C7 H11 N O
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in propylene glycol.  
green vegetable earthy

properties :
appearence :colorless to yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.93800 - 0.94800 @ 25.00 °C.
pounds per gallon - calc. : 7.805 to 7.888
refractive index :1.44100 - 1.45100 @ 20.00 °C.
boiling point : 60.00 °C. @ 18.00 mm Hg
boiling point : 137.00 °C. @ 732.00 mm Hg
logp : 1.62

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 112.00  °F.  TCC  ( 44.44 °C. )
  
recommendation for 2-ethyl-4,5-dimethyl oxazole usage levels up to :
  0.0100 % in the fragrance concentrate.
  
recommendation for 2-ethyl-4,5-dimethyl oxazole usage levels up to :
  20.0000 ppm in the flavor.
  

safety links :
(EINECS) number :258-815-4
chemidplus :053833300
epa-srs :53833-30-0
  

other :
 

references :
jecfa number :1555
fl. number :13.091
pubchem :198559
NIST Chemistry WebBook :1130721679
  
synonyms :
4,5-dimethyl-2-ethyl oxazole
2-ethyl-4,5-dimethyl oxazole
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 amyl formate
 benzyl disulfide
 bornyl formate
 dihydroxyacetophenone
 fern absolute
 geranium absolute
 grapefruit menthane
delta-heptalactone
(E)-2-hepten-1-al
(Z)-4-hepten-1-al
(E)-4-hexen-1-al
4-hexen-1-ol
(Z)-3-hexen-1-yl (E)-crotonate
(Z)-3-hexen-1-yl tiglate
6-hydroxydihydrotheaspirane (mixture of isomers)
 linalool oxide
 methyl benzyl disulfide
2-methyl thiazole
4-(methyl thio) butanol
3-(methyl thio) hexanol
3-(5-methyl-2-furyl) butanal
(Z)-6-nonen-1-ol
1-nonen-3-ol
2,4-octadien-1-al
2-octen-1-ol
1-octen-3-ol
 octyl acetate
 octyl isobutyrate
1-penten-3-ol
2-pentyl furan
2-phenyl propyl acetate
1-phenyl-2-pentanol
2-propyl pyrazine
isopropyl tiglate
2-isopropyl-3-(methyl thio) pyrazine
 propylene glycol acetone ketal
3-tetrahydrothiophenone
 tropical thiazole
 tropical trithiane
(odor and/or flavor) used in :
 cereal
 coffee
 earth humus
 green
 soup
natural occurrence in :
chocolate
coffee
nut
tea



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Html Last modified 10/12/2008