cinnamyl phenyl acetate
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IUPAC name :[(E)-3-phenylprop-2-enyl] 2-phenylacetate
InChI :InChI=1/C17H16O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2/b12-7+
InChIKey :SFXQCOMMEMBETJ-KPKJPENVBW
SMILES :C1=CC=C(C=C1)CC(=O)OC/C=C/C2=CC=CC=C2
cas number :7492-65-1
(EINECS) number :231-322-1
fema number :2300
coe number :235
jecfa number :655
fl. number :09.708
molar refractivity :77.67 ± 0.3 cm3
parachor :586.6 ± 4.0 cm3
index of refraction :1.598 ± 0.02
surface tension :44.1 ± 3.0 dyne/cm
density :1.108 ± 0.06 g/cm3
polarizability :30.79 ± 0.5 10-24cm3
XlogP : 4.10
XlogP3-AA : 3.80
molecular weight : 252.3077400 (IUPAC)
formula :C17 H16 O2
NMR Predictor :Predict
 
 
export tariff code :2916.35.1500
fda reg :172.515
Suppliers :
Inoue :CINNAMYL PHENYL ACETATE
Penta :cinnamyl phenyl acetate
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		chrysanthemum spicy tolu balsam
properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.08900 to 1.09500 @ 25.00 °C.
pounds per gallon - calc. : 9.062 to 9.111
refractive index :1.57500 to 1.58100 @ 20.00 °C.
boiling point : 333.00 to 335.00 °C. @ 760.00 mm Hg
flash point : 323.00  °F.  TCC  ( 161.67 °C. )
logP (o/w) : 4.43
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.0024 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1.00 (μg/capita/day)
Structure Class :I
 
recommendation for cinnamyl phenyl acetate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for cinnamyl phenyl acetate flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 
[(E)-3-phenylprop-2-enyl] 2-phenylacetate
(EINECS) number :231-322-1
chemidplus :007492651
EPA Substance Registry Services :7492-65-1
references :
 
[(E)-3-phenylprop-2-enyl] 2-phenylacetate
fl. number :09.708
jecfa number :655
NIST Chemistry WebBook :421473960
pubchem :204169
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 cinnamyl alpha-toluate
3-phenyl allyl phenyl acetate
3-phenyl-2-propen-1-yl phenyl acetate
[(E)-3-phenylprop-2-enyl] 2-phenylacetate
Similar Products:    note
 allyl phenyl acetate
 amyl phenyl acetate
isoamyl phenyl acetate
para-anisyl phenyl acetate
 benzyl phenyl acetate
isobornyl phenyl acetate
 butyl phenyl acetate
isobutyl phenyl acetate
 citronellyl phenyl acetate
meta-cresyl phenyl acetate
para-cresyl phenyl acetate
 cyclohexyl phenyl acetate
 dimethyl octanyl phenyl acetate
 ethyl phenyl acetate
 eugenyl phenyl acetate
isoeugenyl phenyl acetate
 furfuryl phenyl acetate
 geranyl phenyl acetate
 guaiacyl phenyl acetate
 heptyl phenyl acetate
(E)-2-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl phenyl acetate
 hexyl phenyl acetate
 linalyl phenyl acetate
 menthyl phenyl acetate
laevo-menthyl phenyl acetate
 methyl butyl phenyl acetate
 methyl phenyl acetate
 neryl phenyl acetate
 nonyl phenyl acetate
 octyl phenyl acetate
 phenethyl phenyl acetate
 phenyl propyl phenyl acetate
 propyl 4-tert-butyl phenyl acetate
 propyl phenyl acetate
isopropyl phenyl acetate
 rhodinyl phenyl acetate
 santalyl phenyl acetate
 tetrahydrofurfuryl phenyl acetate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehyde dipropyl acetalFL/FR
para-anisyl phenyl acetateFL/FR
 bay leaf oil terpenelessFL/FR
 beeswax absoluteFL/FR
 benzyl isoeugenolFL/FR
isobutyl cinnamateFL/FR
 butyl phenyl acetateFL/FR
 cardamom absoluteFL/FR
 carnation absoluteFR
 chrysanthemum carbaldehydeFR
 chrysanthemum oxideFL/FR
 cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl phenyl acetateFL/FR
 citronellyl isovalerateFL/FR
para-cresyl phenyl acetateFL/FR
neocyclocitralFR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
 ethyl chrysanthemateFR
 ethyl cinnamateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl salicylateFL/FR
 eugenyl phenyl acetateFL/FR
 frankincense absoluteFL/FR
 furfural acetoneFL
 galangal root oleoresinFL
 geranyl phenyl acetateFL/FR
 green dioxolaneFR
(Z)-3-hexen-1-yl cinnamateFR
 linalyl cinnamateFL/FR
 linalyl phenyl acetateFL/FR
 mace oil CO2 extractFL/FR
 methyl furfuracrylateFL
 methyl phenyl acetateFL/FR
 myrceneFL/FR
 nutmeg absoluteFL/FR
 nutmeg extract CO2 west indianFL/FR
 octyl cinnamateFR
 octyl isovalerateFL/FR
 osmanthus absoluteFL/FR
 peru balsam oilFL/FR
 phenethyl acetateFL/FR
 phenethyl furoateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
2-phenoxyethyl formateFR
 poplar bud oleoresinFL/FR
 rose absolute moroccoFL/FR
 rose carboxylateFR
 spicy acetoacetateFL/FR
 tagette carboxylateFR
 tetrahydrofurfuryl cinnamateFL/FR
 tolu balsam oilFL/FR
 tonka undecanoneFR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
 waxy acetateFR
 woody octeneFR
potential uses :
 balsam
 chrysanthemum chrysantheme
 moss
 orchid
 spice
 tulip
 woody
natural occurrence in :    note
 not found in nature  

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