cinnamyl cinnamate
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Notes :
Fixer for heavy florals.
 
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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
cas number :122-69-0
(EINECS) number :204-566-1
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
XlogP3 : 4.40
molecular weight : 264.3184400 (IUPAC)
formula :C18 H16 O2
NMR Predictor :Predict
 
 
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  (E)
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
XlogP3 : 4.40
molecular weight : 264.3184400 (IUPAC)
formula :C18 H16 O2
NMR Predictor :Predict
 
 
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  (Z)
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
XlogP3 : 4.40
molecular weight : 264.3184400 (IUPAC)
formula :C18 H16 O2
NMR Predictor :Predict
 
 
export tariff code :2916.12.6000
fda reg :172.515
Suppliers :
Apple :Cinnamyl cinnamate
Berje :Cinnamyl Cinnamate
Fleurchem :cinnamyl cinnamate
natural
Fleurchem :cinnamyl cinnamate
Inoue :CINNAMYL CINNAMATE
Payand Betrand :Cinnamyl Cinnamate
Honduras, Natural Isolated Constituent
Penta :cinnamyl cinnamate distilled
Penta :cinnamyl cinnamate reg.
Penta :cinnamyl cinnamate
powder
Robertet :Cinnamyl Cinnamate
naturel
SAFC Global® :Cinnamyl cinnamate
≥95%, mixture of isomers, Kosher
Odor:  almond; balsam; berry; carnation; cinnamon; honey; jasmine; nutty; floral; rose; sweet.
Vigon :Cinnamyl Cinnamate
Distilled
Odor:  Sweet balsam cassia
organoleptics :
odor type :balsamic
odor strength :medium
odor description:
at 100.00 %.  		sweet balsam floral cassia cinnamyl
Luebke, William tgsc, (1986)
odor sample from :Fritzsche Dodge & Olcott, Inc.
odor description:
at 1.00 %.  		Mild, floral, balsamic, sweet, floral, jasmin and rose, with a cinnamon spicy nuance
Mosciano, Gerard P&F 25, No. 4, 71, (2000)
taste description:
at 10.00 - 25.00 ppm.  		Spicy, cinnamic balsamic, with a floral, yeasty note and a lingering spicy aftertaste
Mosciano, Gerard P&F 25, No. 4, 71, (2000)
substantivity :356  Hour(s)
properties :
appearence :white to pale yellow crystals
assay : 95.00 to 100.00 %   sum of isomers
equivalence factor for assay :132.16
Food Chemicals Codex Listed :No
melting point : 42.00 to 45.00 °C. @ 760.00 mm Hg
boiling point : 370.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 4.45
safety :
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    4200.00  mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 753, 1975.

Dermal Toxicity(LD50) : 
  Skin-Rat  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 753, 1975.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :36.00 (μg/capita/day)
Structure Class :I
 
maximum skin levels for fine fragrances :
  0.2400 %   and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).  (IFRA, 2001)
recommendation for cinnamyl cinnamate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics :
  0.2380 %
dermal systemic exposure in cosmetic products :
 0.0061 mg/kg/day  (IFRA, 2001)
recommendation for cinnamyl cinnamate flavor usage levels up to :
  25.0000 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
Chemical Carcinogenesis Research Information System :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
3-phenylprop-2-enyl 3-phenylprop-2-enoate
(EINECS) number :204-566-1
RTECS :GD8562000 for cas# 122-69-0
chemidplus :122-69-0
EPA Substance Registry Services :122-69-0
dtp/nci :46161
 
[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
 
[(E)-3-phenylprop-2-enyl] (Z)-3-phenylprop-2-enoate
references :
 
3-phenylprop-2-enyl 3-phenylprop-2-enoate
fl. number :09.739
jecfa number :673
NIST Chemistry WebBook :2859739264
pubchem :99607
 
[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
NIST Chemistry WebBook :1898474814
pubchem :173258
 
[(E)-3-phenylprop-2-enyl] (Z)-3-phenylprop-2-enoate
pubchem :32250232
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 cinnamic acid cinnamyl ester
 cinnamyl alcohol cinnamate
 cinnamyl beta-phenyl acrylate
 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
3-phenylprop-2-enyl 3-phenylprop-2-enoate
 styracin
Similar Products:    note
 allyl cinnamate
 amyl cinnamate
isoamyl cinnamate
 benzyl cinnamate
 butyl cinnamate
isobutyl cinnamate
 citronellyl cinnamate
 cyclohexyl cinnamate
 ethyl alpha-acetyl cinnamate
 ethyl cinnamate
 heptyl cinnamate
(Z)-3-hexen-1-yl cinnamate
 hexyl cinnamate
 linalyl cinnamate
 methyl cinnamate
 octyl cinnamate
 phenethyl cinnamate
3-phenyl propyl cinnamate
 propyl cinnamate
isopropyl cinnamate
 terpinyl cinnamate
 tetrahydrofurfuryl cinnamate
soluble in :
 alcohol
 water, 3.116 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
 amyl isoeugenolFR
homoanisaldehydeFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 benzyl propionateFL/FR
isobutyl cinnamateFL/FR
 cananga oilFL/FR
 cardamom absoluteFL/FR
 cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl anthranilateFR
 cinnamyl benzoateFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl hexanoateFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 cinnamyl phenyl acetateFL/FR
 cinnamyl propionateFL/FR
 cinnamyl salicylate 
 cinnamyl tiglateFL/FR
 cinnamyl valerateFL/FR
 citronellyl acetoneFL/FR
 clary sage absoluteFL/FR
isocyclogeraniolFR
 cyclohexyl crotonateCS
 cyclohexyl salicylateFR
 dihydrogeranyl linaloolFR
 ethyl cinnamateFL/FR
O-ethyl S-(2-furyl methyl) thiocarbonateFL
isoeugenyl acetateFL/FR
isoeugenyl ethyl acetalFR
 floral undecenoneFR
 geranium oilFL/FR
 heliotropyl diethyl acetalFR
(E,E)-2,4-hexadien-1-alFL
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl cinnamateFR
beta-ionolFL/FR
(Z)-jasmoneFL/FR
 linalyl cinnamateFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
4-methyl biphenylFL
alpha-methyl cinnamic alcoholFR
 methyl furfuracrylateFL
 methyl hydrocinnamateFL/FR
(±)-3-((2-methyl-3-furyl)thio)-2-butanoneFL
 octyl cinnamateFR
 peru balsam oilFL/FR
 phenethyl salicylateFL/FR
2-phenoxyethyl formateFR
3-phenyl propyl propionateFL/FR
1-phenyl-1-propanolFL/FR
4-phenyl-3-buten-2-olFL/FR
 phytolFL/FR
 poplar bud oleoresinFL/FR
 rhubarb oxiraneFR
 rose oilFL/FR
 sandal cyclopropaneFR
 tetrahydrofurfuryl cinnamateFL/FR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
 ylang ylang absoluteFL/FR
potential uses :
 almond
 balsam
 berry
 cinnamon
 floral
 honey miel
 hyacinth jacinthe
 jicky
 nut pistachio
 oriental
 peru balsam
 resin
 strawberry
natural occurrence in :    note
data pagedavana oil @ 2.0% S
 peru balsam S
 styrax  

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