(E)-cinnamic acid
 
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IUPAC name :(E)-3-phenylprop-2-enoic acid
InChI :InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+/f/h10H
InChIKey :WBYWAXJHAXSJNI-GSDNNJEGDL
SMILES :C1=CC=C(C=C1)\C=C\C(=O)O
(EINECS) number :205-398-1
cas number :140-10-3
beilstein number :1905952
fema number :2288
coe number :22
molar refractivity :43.70 ± 0.3 cm3
parachor :332.0 ± 4.0 cm3
index of refraction :1.616 ± 0.02
surface tension :49.7 ± 3.0 dyne/cm
density :1.184 ± 0.06 g/cm3
polarizability :17.32 ± 0.5 10-24cm3
xlogp : 1.90
molecular weight : 148.1586200
formula :C9 H8 O2
BioActivity Analysis :491236
 
 
fda reg :unspecified h. number :2916.39.0000
organoleptics : 
odor type :balsamic
odor strength :low
odor description :
at 100.00 %.  
balsam sweet storax
substantivity :340  Hour(s)
properties : 
appearence :pale amber powder
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
melting point : 132.00 - 135.00 °C. @ 760.00 mm Hg
boiling point : 295.00 - 305.00 °C. @ 760.00 mm Hg
logp : 2.13
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for (E)-cinnamic acid usage levels up to :
  0.5000 % in the fragrance concentrate.
  
recommendation for (E)-cinnamic acid usage levels up to :
  1.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :205-398-1
rtecs :GD7850000 for 140-10-3
chemidplus :000140103
epa-srs :140-10-3
dtp/nci :623441
  
other : 
 
references : 
pubchem :151937
NIST Chemistry WebBook :687123341
  
synonyms :
(E)-benzene propenoic acid
(E)-benzylidene acetic acid
(E)-cinnamic acid
(E)-cinnamylic acid
(E)-3-phenyl acrylic acid
(E)-3-phenyl propenoic acid
(E)-3-phenyl-2-propenoic acid
soluble in :
 alcohol
 fixed oils
 water, 546 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 amber
 apricot
 balsam
 basil
 benzoin
 butterscotch
 cedarwood
 chocolate cocoa
 cinnamon
 fixer
 hay new mown hay foin coupe
 hyacinth jacinthe
 incense
 oriental
 peach
 peru balsam
 raspberry
 tobacco tabac tabaco
 tolu balsam
natural occurrence in :
basil
cinnamon
cocoa leaves
peru balsam
styrax



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