cinnamyl cinnamate
Notes :
Fixer for heavy florals.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3-phenylprop-2-enyl 3-phenylprop-2-enoate
InChI :InChI=1/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2
InChIKey :NQBWNECTZUOWID-UHFFFAOYAL
SMILES :C1=CC=C(C=C1)C=CCOC(=O)C=CC2=CC=CC=C2
(EINECS) number :204-566-1
cas number :122-69-0
fema number :2298
coe number :332
jecfa number :673
fl. number :09.739
molar refractivity :84.01 ± 0.3 cm3
parachor :613.0 ± 4.0 cm3
index of refraction :1.631 ± 0.02
surface tension :45.7 ± 3.0 dyne/cm
density :1.121 ± 0.06 g/cm3
polarizability :33.30 ± 0.5 10-24cm3
xlogp : 4.50
molecular weight : 264.3184400
formula :C18 H16 O2
 
 
IUPAC name :[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
InChI :InChI=1/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13+
InChIKey :NQBWNECTZUOWID-MZXMXVKLBN
SMILES :C1=CC=C(C=C1)\C=C\COC(=O)\C=C\C2=CC=CC=C2
cas number :122-69-0
molar refractivity :84.01 ± 0.3 cm3
parachor :613.0 ± 4.0 cm3
index of refraction :1.631 ± 0.02
surface tension :45.7 ± 3.0 dyne/cm
density :1.121 ± 0.06 g/cm3
polarizability :33.30 ± 0.5 10-24cm3
xlogp : 4.50
molecular weight : 264.3184400
formula :C18 H16 O2
 
 
IUPAC name :[(E)-3-phenylprop-2-enyl] (Z)-3-phenylprop-2-enoate
InChI :InChI=1/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13-
InChIKey :NQBWNECTZUOWID-QSYVVUFSBT
SMILES :C1=CC=C(C=C1)\C=C\COC(=O)\C=C/C2=CC=CC=C2
cas number :122-69-0
molar refractivity :84.01 ± 0.3 cm3
parachor :613.0 ± 4.0 cm3
index of refraction :1.631 ± 0.02
surface tension :45.7 ± 3.0 dyne/cm
density :1.121 ± 0.06 g/cm3
polarizability :33.30 ± 0.5 10-24cm3
xlogp : 4.50
molecular weight : 264.3184400
formula :C18 H16 O2
 
 
fda reg :172.515 h. number :2916.12.6000
organoleptics : 
odor type :balsamic
odor strength :medium
odor description :
at 100.00 %.  
sweet balsam floral cassia
taste description³ :at 10.00 - 25.00 ppm.  
Spicy, cinnamic balsamic, with a floral, yeasty note and a lingering spicy aftertaste
substantivity :356  Hour(s)
properties : 
appearence :pale yellow crystals
assay : 98.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
melting point : 42.00 - 45.00 °C. @ 760.00 mm Hg
boiling point : 370.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.45
safety : 
Oral Toxicity(LD50) : Oral-Rat    4200.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rat  >5.00  gm/kg    
  
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
  
recommendation for cinnamyl cinnamate usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for cinnamyl cinnamate usage levels up to :
  25.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :204-566-1
rtecs :GD8562000 for 122-69-0
chemidplus :122-69-0
epa-srs :122-69-0
dtp/nci :46161
  
chemidplus :000122690
epa-srs :122-69-0
  
chemidplus :122-69-0
epa-srs :122-69-0
  
other : 
 
references : 
pubchem :99607
NIST Chemistry WebBook :2859739264
  
pubchem :173258
NIST Chemistry WebBook :1898474814
  
pubchem :32250232
  
reference : Mosciano, Gerard P&F 25, No. 4, 71, (2000)³
synonyms :
 cinnamic acid cinnamyl ester
 cinnamyl alcohol cinnamate
 cinnamyl beta-phenyl acrylate
 cinnamyl cinnamate
 phenyl allyl cinnamate
3-phenyl allyl cinnamate
3-phenyl-2-propen-1-yl 3-phenyl propenoate
3-phenyl-2-propen-1-yl cinnamate
3-phenyl-2-propenyl 3-phenyl-2-propenoate
 styracin
soluble in :
 alcohol
 water, 3 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 almond
 balsam
 berry
 cinnamon
 floral
 honey miel
 hyacinth jacinthe
 jicky
 nut pistachio
 oriental
 peru balsam
 resin
 strawberry
natural occurrence in :
data pagedavana oil @ 2.0%
peru balsam
styrax



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