cinnamyl cinnamate
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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
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
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
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
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
Penta :cinnamyl cinnamate distilled
Penta :cinnamyl cinnamate reg.
Penta :cinnamyl cinnamate
powder
Robertet :Cinnamyl Cinnamate
naturel
Sigma-Aldrich-SAFC :Cinnamyl cinnamate
≥95%, mixture of isomers, Kosher
Odor:  almond; balsam; berry; carnation; cinnamon; honey; jasmine; nutty; floral; rose; sweet.
Vigon :Cinnamyl Cinnamate
Distilled
organoleptics :
odor type :balsamic
odor strength :medium
odor description :¹
at 100.00 %.  		sweet balsam floral cassia cinnamyl
odor sample from :Fritzsche Dodge & Olcott, Inc.
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

Dermal Toxicity(LD50) :
  Skin-Rat  >5000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
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
 
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 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 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 :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
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
soluble in :
 alcohol
 water, 3 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 amyl isoeugenol
homoanisaldehyde
 benzyl cinnamate
 benzyl formate
 benzyl propionate
isobutyl cinnamate
 cananga oil
 cardamom absolute
 cinnamyl acetate
 cinnamyl alcohol
 cinnamyl anthranilate
 cinnamyl benzoate
 cinnamyl butyrate
 cinnamyl hexanoate
 cinnamyl isobutyrate
 cinnamyl isovalerate
 cinnamyl phenyl acetate
 cinnamyl propionate
 cinnamyl salicylate
 cinnamyl tiglate
 cinnamyl valerate
 citronellyl acetone
 clary sage absolute
isocyclogeraniol
 cyclohexyl crotonate
 cyclohexyl salicylate
 dihydrogeranyl linalool
 ethyl cinnamate
O-ethyl S-(2-furyl methyl) thiocarbonate
isoeugenyl acetate
isoeugenyl ethyl acetal
 floral undecenone
 geranium oil
 heliotropyl diethyl acetal
(E,E)-2,4-hexadien-1-al
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl cinnamate
beta-ionol
(Z)-jasmone
 linalyl cinnamate
(E)-para-methoxycinnamaldehyde
4-methyl biphenyl
alpha-methyl cinnamic alcohol
 methyl furfuracrylate
 methyl hydrocinnamate
(±)-3-((2-methyl-3-furyl)thio)-2-butanone
 octyl cinnamate
 peru balsam oil
 phenethyl salicylate
2-phenoxyethyl formate
3-phenyl propyl propionate
1-phenyl-1-propanol
4-phenyl-3-buten-2-ol
 phytol
 poplar bud oleoresin
 rhubarb oxirane
 rose oil
 sandal cyclopropane
 tetrahydrofurfuryl cinnamate
 tuberose absolute
 tuberose absolute concrete
 ylang ylang absolute
(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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