3-phenyl propyl acetate
Notes :
Blends well with rose alcohols. Modifier in hyacinth.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3-phenylpropyl acetate
InChI :InChI=1/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKey :JRJGKUTZNBZHNK-UHFFFAOYAH
SMILES :CC(=O)OCCCC1=CC=CC=C1
(EINECS) number :204-569-8
cas number :122-72-5
beilstein number :0744307
fema number :2890
coe number :222
jecfa number :638
fl. number :09.032
molar refractivity :51.47 ± 0.3 cm3
parachor :427.9 ± 4.0 cm3
index of refraction :1.499 ± 0.02
surface tension :35.5 ± 3.0 dyne/cm
density :1.016 ± 0.06 g/cm3
polarizability :20.40 ± 0.5 10-24cm3
xlogp : 2.50
molecular weight : 178.2276600
formula :C11 H14 O2
BioActivity Analysis :474645
 
 
fda reg :172.515 h. number :2915.39.9050
organoleptics : 
odor type :balsamic
odor strength :medium
odor description :
at 100.00 %.  
sweet balsam storax spicy cinnamon
taste description³ :at 10.00 ppm.  
Balsamic, floral, fruity, sappy, spicy and cinnamic with powdery nuances
substantivity :268  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.01100 - 1.01900 @ 25.00 °C.
pounds per gallon - calc. : 8.413 to 8.479
specific gravity :1.01200 - 1.02000 @ 20.00 °C.
pounds per gallon - calc. : 8.431 to 8.497
refractive index :1.49400 - 1.49800 @ 20.00 °C.
boiling point : 244.00 - 245.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.87
safety : 
Oral Toxicity(LD50) : Oral-Rat    4700.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for 3-phenyl propyl acetate usage levels up to :
  15.0000 % in the fragrance concentrate.
  
recommendation for 3-phenyl propyl acetate usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :204-569-8
rtecs :UB9000000 for 122-72-5
chemidplus :000122725
epa-srs :122-72-5
dtp/nci :404453
  
other : 
 
references : 
jecfa number :638
fl. number :09.032
pubchem :173260
NIST Chemistry WebBook :1357204402
  
reference : Mosciano, Gerard P&F 20, No. 6, 49, (1995)³
synonyms :
3-acetoxy-1-phenyl propane
1-acetoxy-3-phenyl propane
(3-acetoxypropyl) benzene
 benzene propanol acetate
 dihydrocinnamic acetate
 hydrocinnamyl acetate
 phenyl propyl acetate
3-phenyl propyl acetate
beta-phenyl propyl acetate
3-phenyl-1-propanol acetate
3-phenyl-1-propyl acetate
soluble in :
 alcohol
insoluble in :
 water
stability :
 cream
 hair spray
 lotion
 non-discoloring in most media
 powder
 soap
(odor and/or flavor) blends with :
 allyl phenyl acetate
 bay leaf oil terpeneless
 benzoin absolute sumatra
 benzoin resinoid sumatra
 benzyl isoeugenol
alpha-bisabolene
isobutyl cinnamate
 cinnamic acid
 cinnamyl acetate
 cinnamyl alcohol
 cinnamyl benzoate
 cinnamyl butyrate
 copaiba balsam oil
 dimethyl octanyl acetate
 ethyl cinnamate
 ethyl hydrocinnamate
 ethyl salicylate
 frankincense absolute
 furfural acetone
 galangal root oleoresin
(Z)-3-hexen-1-yl cinnamate
(E)-3-hexenoic acid
 immortelle absolute
 linalyl cinnamate
 mace oil CO2 extract
 methyl butyl phenyl acetate
 methyl furfuracrylate
 methyl hydrocinnamate
 methyl nonane dione
 myrcene
 myrrh resinoid
 nutmeg absolute
 nutmeg extract CO2 west indian
 octyl cinnamate
 opoponax oil
 opoponax resinoid
 peru balsam oil
 peru balsam resinoid
 phenethyl acetate
 phenethyl propionate
2-phenoxyethyl formate
3-phenyl propionaldehyde
 poplar bud oleoresin
 spicy acetoacetate
 tetrahydrofurfuryl cinnamate
 tolu balsam oil
 tonka undecanone
 woody octene
 wormwood oil annus france
 wormwood oil annus vietnam
(odor and/or flavor) used in :
 apple
 balsam
 blackberry
 blueberry
 cassia
 cherry
 chocolate cocoa
 chypre
 cinnamon
 cranberry
 currant black currant
 fruit
 geranium
 gooseberry
 grape
 heather
 heliotrope
 huckleberry bilberry
 hyacinth jacinthe
 incense
 jasmin
 lilac lilas syringa
 lily
 magnolia
 muguet lily of the valley
 narcissus narcisse
 oriental
 plum
 reseda mignonette
 rose
 rose red rose
 rose white rose
 spice
 vanilla
 wallflower giroflee
 woody
natural occurrence in :
data pagechampaca concrete @ 0.05%
cinnamon
data pagecinnamon fruit oil india @ 2.9-4.3%
data pageguava fruit headspace reunion @ 0.30%
data pageguava fruit oil reunion @ 5.40%
data pagelaurel leaf oil turkey @ 0.10%
narcissus
data pagenarcissus absolute @ 1.83%



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