(E)-2-phenyl-1(2)-propene-1-yl acetate
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IUPAC name :[(E)-2-phenylprop-1-enyl] acetate
InChI :InChI=1/C11H12O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+
InChIKey :CLCGEEANBAUENX-CMDGGOBGBD
SMILES :C/C(=C\OC(=O)C)/C1=CC=CC=C1
cas number :37973-51-6
(EINECS) number :253-735-6
molar refractivity :51.82 ± 0.3 cm3
parachor :414.8 ± 4.0 cm3
index of refraction :1.520 ± 0.02
surface tension :35.2 ± 3.0 dyne/cm
density :1.034 ± 0.06 g/cm3
polarizability :20.54 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 176.2117800
formula :C11 H12 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
sweet honey neroli hyacinth

properties :
appearence :pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04700 @ 25.00 °C.
refractive index :1.53200 to 1.53500 @ 20.00 °C.
boiling point : 95.00 °C. @ 2.00 mm Hg
boiling point : 249.00 to 250.00 °C. @ 760.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 3.42

safety :
Oral Toxicity(LD50) :
  Oral-Mouse    1700.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for (E)-2-phenyl-1(2)-propene-1-yl acetate usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for (E)-2-phenyl-1(2)-propene-1-yl acetate usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 [(E)-2-phenylprop-1-enyl] acetate
(EINECS) number :253-735-6
chemidplus :037973516
EPA Substance Registry Services :37973-51-6

references :
 [(E)-2-phenylprop-1-enyl] acetate
pubchem :739811

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
 bigaflor
(E)-2-phenyl propenyl acetate
[(E)-2-phenylprop-1-enyl] acetate

soluble in :
 alcohol

insoluble in :
 water

stability :
 acids

(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
1-acetyl cyclohexyl acetate
 allyl phenoxyacetate
 allyl phenyl acetate
isoamyl phenyl acetate
para-anisyl alcohol
para-anisyl phenyl acetate
 artemisyl ketone
 beeswax absolute
 benzyl methyl ether
 bran absolute
 butyl phenyl acetate
 cardamom absolute
 carnation absolute
 chamomile flower oil germany
 champaca absolute
 cinnamyl alcohol
 cistus cyclohexanone
 citral / methyl anthranilate schiff's base
 citronellyl isovalerate
 citronellyl oxyacetaldehyde
 citronellyl phenyl acetate
 citronellyl valerate
 citrus carbaldehyde / methyl anthranilate schiff's base
 clean nitrile
 cocoa butenal
 cocoa pentenal
para-cresyl phenyl acetate
 cyclamen aldehyde / methyl anthranilate schiff's base
 cyclohexyl acetic acid
 cyclohexyl anthranilate
 cyclohexyl phenyl acetate
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
 decanal / methyl anthranilate schiff's base
(Z)-4-decen-1-al
 decyl formate
 dimethyl octanyl acetate
 dimethyl salicylate
2,4-dimethyl-2-pentenoic acid
 dodecanol
 elder flowers absolute
 ethyl anthranilate
 ethyl hydrocinnamate
 ethyl phenyl acetate
 eugenyl phenyl acetate
isoeugenyl phenyl acetate
 fig leaf absolute
 galbanum ketone
 genet concrete
 geranyl anthranilate
 geranyl phenyl acetate
 green ether
 guaiacyl phenyl acetate
 heptyl cinnamate
 hexanal diethyl acetal
(E)-2-hexen-1-yl phenyl acetate
(E)-3-hexenoic acid
 honeysuckle
 honeysuckle absolute
 hyacinth absolute
 hyacinth acetal
 hyacinth butanal
 hyacinth ether
 hydroxycitronellal / methyl anthranilate schiff's base
 immortelle absolute
 kewda absolute
 kewda oil
 labdanum ethanone
 leafy acetal
 leerall / methyl anthranilate schiff's base
 lilyall / methyl anthranilate schiff's base
 linalyl anthranilate
 linalyl phenyl acetate
 methyl (E)-2-hexenoate
2'-methyl acetophenone
 methyl anthranilate
 methyl butyl phenyl acetate
 methyl hydrocinnamate
alpha-methyl naphthyl ketone
 methyl phenyl acetate
4-methyl-4-phenyl pentanone
 muguet undecadienal
beta-naphthyl ethyl ether
beta-naphthyl methyl ether
beta-naphthyl methyl ketone
2-naphthyl phenyl ketone
 nerol oxide
 neroli oil
 neroli oil CO2 extract
 nerolin fragarol
(Z,Z)-3,6-nonadien-1-ol
 nonanal / methyl anthranilate schiff's base
(Z)-6-nonen-1-ol
 ocean propanal / methyl anthranilate schiff's base
(Z)-3-octen-1-yl propionate
 octyl isovalerate
 orangeflower absolute
 osmanthus absolute
 petitgrain bigarade oil
 phenethyl acetate
 phenethyl anthranilate
 phenethyl benzoate
 phenethyl formate
 phenethyl furoate
 phenethyl hexanoate
 phenethyl phenyl acetate
 phenethyl propionate
 phenethyl salicylate
 phenoxyacetaldehyde 50% in benzyl alcohol
 phenyl acetaldehyde
 phenyl acetaldehyde / methyl anthranilate schiff's base
 phenyl acetaldehyde ethylene glycol acetal
 phenyl acetic acid
 phenyl glycol diacetate
2-phenyl propionaldehyde
2-phenyl propionaldehyde dimethyl acetal
2-phenyl propyl acetate
(R)-2-phenyl propyl alcohol
2-phenyl propyl alcohol
3-phenyl propyl alcohol
3-phenyl propyl formate
 phenyl propyl phenyl acetate
3-phenyl propyl propionate
 phenyl pyruvic acid
 propyl anthranilate
isopropyl anthranilate
 propyl phenyl acetate
isopropyl phenyl acetate
 reseda acetal
 rhodinyl phenyl acetate
 rose absolute morocco
 rose carboxylate
 rose concrete
 santalyl phenyl acetate
 strawberry glycidate 1
 strawberry glycidate 2
 styralyl alcohol
 surfleurs d'oranger oil
 tea acetate
alpha-terpinyl anthranilate
alpha-terpinyl methyl ether
1,2,3,4-tetrahydroquinoline
 tonka ketone
 tuberose absolute
 tuberose absolute concrete
 wallflower absolute
 waxy acetate

(odor and/or flavor) used in :
 honey miel
 hyacinth jacinthe
 neroli
 orange blossom fleur d'oranger

natural occurrence in :
not found in nature



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