(E)-cinnamyl acetate
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IUPAC name :[(E)-3-phenylprop-2-enyl] acetate
InChI :InChI=1/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
InChIKey :WJSDHUCWMSHDCR-VMPITWQZBM
SMILES :CC(=O)OC/C=C/C1=CC=CC=C1
cas number :21040-45-9
molar refractivity :53.18 ± 0.3 cm3
parachor :414.5 ± 4.0 cm3
index of refraction :1.550 ± 0.02
surface tension :38.0 ± 3.0 dyne/cm
density :1.055 ± 0.06 g/cm3
polarizability :21.08 ± 0.5 10-24cm3
XlogP : 2.60
XlogP3-AA : 2.30
molecular weight : 176.2117800 (IUPAC)
formula :C11 H12 O2
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor strength :medium
odor description:
at 100.00 %.  		sweet floral spicy balsam
substantivity :124  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
boiling point : 263.00 to 265.00 °C. @ 760.00 mm Hg
flash point : 266.00  °F.  TCC  ( 130.00 °C. )
logP (o/w) : 2.62
safety :
most important hazard(s) :Xi - Irritant
  R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for (E)-cinnamyl acetate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for (E)-cinnamyl acetate flavor usage levels up to :
  15.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
[(E)-3-phenylprop-2-enyl] acetate
chemidplus :000103548
EPA Substance Registry Services :21040-45-9
dtp/nci :46109
references :
 
[(E)-3-phenylprop-2-enyl] acetate
NIST Chemistry WebBook :2506142517
pubchem :10513370
other :
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
synonyms :
trans-cinnamyl acetate
(E)-3-phenyl-2-propen-1-yl acetate
[(E)-3-phenylprop-2-enyl] acetate
soluble in :
 alcohol
 paraffin oil
insoluble in :
 water
potential blenders :    note
 ambrette seed oilFL/FR
 amyl isoeugenolFR
homoanisaldehydeFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 benzylidene acetoneFL
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
 cananga leaf oilFR
 canella bark oilFR
 cardamom absoluteFL/FR
 cassia bark oilFL/FR
 cassia concreteFR
 cassia leaf oil chinaFL/FR
 cassia oleoresinFL
 cinnamaldehydeFL/FR
 cinnamaldehyde / methyl anthranilate schiff's baseFR
 cinnamaldehyde ethylene glycol acetalFL/FR
 cinnamon acroleinFL/FR
 cinnamon bark oilFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl anthranilateFR
 cinnamyl benzoateFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl cinnamateFL/FR
 cinnamyl hexanoateFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 cinnamyl nitrileFR
 cinnamyl phenyl acetateFL/FR
 cinnamyl propionateFL/FR
 cinnamyl salicylate 
 cinnamyl tiglateFL/FR
 cinnamyl valerateFL/FR
 clary sage absoluteFL/FR
 coranolFR
 coumarinFR
 cubeb oilFL/FR
isocyclogeraniolFR
 dihydrolinaloolFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl cinnamateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
O-ethyl S-(2-furyl methyl) thiocarbonateFL
isoeugenyl acetateFL/FR
isoeugenyl ethyl acetalFR
2-furfurylidene butyraldehydeFL
 geranium oilFL/FR
 guaiacwood oilFL/FR
 heliotropyl diethyl acetalFR
(E,E)-2,4-hexadien-1-alFL/FR
(Z)-3-hexen-1-yl cinnamateFR
 ho leaf oilFR
 ho wood oilFR
(Z)-jasmoneFL/FR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl cinnamateFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
ortho-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
4-methyl biphenylFL
alpha-methyl cinnamaldehydeFL/FR
para-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl furfuracrylateFL
 methyl heptadienoneFL/FR
(±)-3-((2-methyl-3-furyl)thio)-2-butanoneFL
 myrtenalFL/FR
 octyl cinnamateFR
 octyl phenyl acetateFL/FR
 peru balsam oilFL/FR
2-phenoxyethyl formateFR
3-phenyl propyl acetateFL/FR
 poplar bud oleoresinFL/FR
 rhubarb oxiraneFR
 rose butanoateFL/FR
 rose oilFL/FR
 salicyl aldehydeFL/FR
 sandalwood oilFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
 tetrahydrolinaloolFL/FR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
 vetiver oilFL/FR
 vetiverolFL/FR
 ylang ylang absoluteFL/FR
potential uses :
 apple
 apricot
 balsam
 carnation dianthus oeillet
 cassia
 castoreum
 chocolate cocoa
 cinnamon
 feyoa
 floral
 fruit
 guava
 hyacinth jacinthe
 jasmin
 lilac lilas syringa
 mimosa wattle
 muguet lily of the valley
 oriental
 peach
 pear
 pineapple
 powder
 rose
 sherry
 spice
 starfruit
 vanilla
 vetiver
 wine
 woody
natural occurrence in :    note
data pagecananga oil china @ 0.97% S
data pagecassia bark oil china @ 2.64% S
data pagecassia leaf oil china @ 2.64% S
data pagechampaca concrete @ 0.10% S
data pagecinnamomum fragrans baillon leaf oil madagascar @ 0.40% S
 cinnamon  
data pagecinnamon bark oil (cinnamomum zeylanicum blume) india @ 0.95% S
data pagecinnamon bark oil (cinnamomum zeylanicum blume) sri lauka @ 3.24-3.65% S
data pagecinnamon bark oil ceylon @ 2.64% S
data pagecinnamon fruit oil india @ 42.4-54.2% S
data pagecinnamon leaf oil ceylon @ 0.19% S
data pagecinnamon twig oil @ 0.43% S
 feyoa  
 guava S
 lychee  
 melon  
 starfruit  
 tarragon  
data pageylang ylang oil @ 2.09% S

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