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
molecular weight : 252.3077400
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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.0024 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1.00 (μg/capita/day)
 
recommendation for cinnamyl phenyl acetate usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for cinnamyl phenyl acetate 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
synonyms :
 cinnamyl alpha-toluate
3-phenyl allyl phenyl acetate
3-phenyl-2-propen-1-yl phenyl acetate
[(E)-3-phenylprop-2-enyl] 2-phenylacetate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde dipropyl acetal
para-anisyl phenyl acetate
 bay leaf oil terpeneless
 beeswax absolute
 benzyl isoeugenol
isobutyl cinnamate
 butyl phenyl acetate
 cardamom absolute
 carnation absolute
 chrysanthemum carbaldehyde
 chrysanthemum oxide
 cinnamyl acetate
 cinnamyl alcohol
 cinnamyl butyrate
 cinnamyl phenyl acetate
 citronellyl isovalerate
para-cresyl phenyl acetate
neocyclocitral
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
 ethyl chrysanthemate
 ethyl cinnamate
 ethyl hydrocinnamate
 ethyl phenyl acetate
 ethyl salicylate
 eugenyl phenyl acetate
 frankincense absolute
 furfural acetone
 galangal root oleoresin
 geranyl phenyl acetate
 green dioxolane
(Z)-3-hexen-1-yl cinnamate
 linalyl cinnamate
 linalyl phenyl acetate
 mace oil CO2 extract
 methyl furfuracrylate
 methyl phenyl acetate
 myrcene
 nutmeg absolute
 nutmeg extract CO2 west indian
 octyl cinnamate
 octyl isovalerate
 osmanthus absolute
 peru balsam oil
 phenethyl acetate
 phenethyl furoate
 phenethyl phenyl acetate
 phenethyl propionate
2-phenoxyethyl formate
 poplar bud oleoresin
 rose absolute morocco
 rose carboxylate
 spicy acetoacetate
 tagette carboxylate
 tetrahydrofurfuryl cinnamate
 tolu balsam oil
 tonka undecanone
 tuberose absolute
 tuberose absolute concrete
 waxy acetate
 woody octene

(odor and/or flavor) used in :
 balsam
 chrysanthemum chrysantheme
 moss
 orchid
 spice
 tulip
 woody

natural occurrence in :
not found in nature



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