(E)-2-phenyl-1(2)-propene-1-yl acetate
 
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IUPAC name :[(E)-2-phenylprop-1-enyl] acetate
InChI :InChI=1/C11H12O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+
InChIKey :CLCGEEANBAUENX-CMDGGOBGBD
SMILES :C/C(=C\OC(=O)C)/C1=CC=CC=C1
(EINECS) number :253-735-6
cas number :37973-51-6
molar refractivity :51.82 ± 0.3 cm3
parachor :414.8 ± 4.0 cm3
index of refraction :1.520 ± 0.02
surface tension :35.2 ± 3.0 dyne/cm
density :1.034 ± 0.06 g/cm3
polarizability :20.54 ± 0.5 10-24cm3
xlogp : 2.50
molecular weight : 176.2117800
formula :C11 H12 O2
 
 
export tariff code :2915.39.9050
fda reg :unspecified
 
 

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
sweet honey neroli hyacinth

properties :
appearence :pale yellow clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04700 @ 25.00 °C.
refractive index :1.53200 - 1.53500 @ 20.00 °C.
boiling point : 95.00 °C. @ 2.00 mm Hg
boiling point : 249.00 - 250.00 °C. @ 760.00 mm Hg
logp : 3.42

safety :
Oral Toxicity(LD50) : Oral-Mouse    1.70  gm/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 200.00  °F.  TCC  ( > 93.33 °C. )
  
recommendation for (E)-2-phenyl-1(2)-propene-1-yl acetate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for (E)-2-phenyl-1(2)-propene-1-yl acetate usage levels up to :
 not for flavor use.
  

safety links :
(EINECS) number :253-735-6
chemidplus :037973516
epa-srs :37973-51-6
  

other :
 

references :
pubchem :739811
  
synonyms :
 bigaflor
(E)-2-phenyl propenyl acetate
(E)-2-phenyl-1(2)-propene-1-yl acetate
soluble in :
 alcohol
insoluble in :
 water
stability :
 acids
(odor and/or flavor) used in :
 honey miel
 hyacinth jacinthe
 neroli
 orange blossom fleur d'oranger
natural occurrence in :
not found in nature



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Html Last modified 10/29/2008