phenethyl acetate
Notes :
Modifier in hyacinth.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-phenylethyl acetate
InChI :InChI=1/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey :MDHYEMXUFSJLGV-UHFFFAOYAK
SMILES :CC(=O)OCCC1=CC=CC=C1
(EINECS) number :203-113-5
cas number :103-45-7
beilstein number :0638179
fema number :2857
coe number :221
jecfa number :989
fl. number :09.031
molar refractivity :46.84 ± 0.3 cm3
parachor :388.1 ± 4.0 cm3
index of refraction :1.501 ± 0.02
surface tension :35.7 ± 3.0 dyne/cm
density :1.034 ± 0.06 g/cm3
polarizability :18.56 ± 0.5 10-24cm3
xlogp : 2.10
molecular weight : 164.2010800
formula :C10 H12 O2
 
 
fda reg :unspecified h. number :2915.39.9050
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
floral rose sweet honey fruity tropical
taste description³ :at 5.00 - 10.00 ppm.  
Sweet, honey, floral, rosy with a slight green nectar fruity body and mouth feel
substantivity :16  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.02800 - 1.03600 @ 25.00 °C.
pounds per gallon - calc. : 8.554 to 8.621
specific gravity :1.02900 - 1.03700 @ 20.00 °C.
pounds per gallon - calc. : 8.572 to 8.639
refractive index :1.49600 - 1.50100 @ 20.00 °C.
boiling point : 238.00 - 239.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.27
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : None - None
  
Oral Toxicity(LD50) : Oral-Rat    3670.00  mg/kg  VPITAR  33(5),48,1974
Dermal Toxicity(LD50) : Skin-Rabbit  6210.00  mg/kg  FCTXAV  12,957,1974
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for phenethyl acetate usage levels up to :
  50.0000 % in the fragrance concentrate.
  
recommendation for phenethyl acetate usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :203-113-5
rtecs :AJ2220000 for 103-45-7
chemidplus :000103457
epa-srs :103-45-7
dtp/nci :71927
  
other : 
  C of A     
references : 
jecfa number :989
fl. number :09.031
pubchem :150736
NIST Chemistry WebBook :3074169083
  
reference : Mosciano, Gerard P&F 26, No. 1, 52, (2001)³
synonyms :
 acetic acid 2-phenyl ethyl ester
 acetic acid phenethyl ester
 benzyl carbinyl acetate
 phenethyl acetate
2-phenethyl acetate
beta-phenethyl acetate
 phenethyl alcohol acetate
 phenethyl ethanoate
 phenyl ethyl acetate
2-phenyl ethyl acetate
beta-phenyl ethyl acetate
 phenyl ethyl alcohol acetate
soluble in :
 alcohol
 dipropylene glycol
 fixed oils
 kerosene
 propylene glycol
 water, 711 mg/L @ 25C
insoluble in :
 paraffin oil
 water
 glycerin
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 hair spray
 hard surface cleaner
 liquid detergent
 non-discoloring in most media
 shampoo
 soap
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 allyl amyl glycolate
 allyl cyclohexyl propionate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
isoamyl undecylenate
para-anisaldehyde
para-anisyl alcohol
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl isoeugenol
 benzyl propionate
 bergamot oil
 blood orange oil
 bois de rose oil
isobornyl acetate
 buchu mercaptan
 butyl benzyl ether
isobutyl cinnamate
 butyl phenyl acetate
 caramel furanone
 carnation absolute
 cassia bark oil
 cassis pentanone
 citronellal
 citronellol
 citronellyl acetate
 citronellyl propionate
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 cortex pyridine
para-cresyl phenyl acetate
 cyclohexyl ethyl alcohol
(E)-alpha-damascone
(E)-beta-damascone
(Z)-alpha-damascone
(Z)-beta-damascone
beta-damascone
gamma-damascone
isodecanal
 decanol
9-decen-1-ol
(Z)-4-decen-1-yl acetate
 dihydrocarvyl acetate
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl isobutyrate
 dimethyl octanyl acetate
 dodecanal dimethyl acetal
 ethyl (E,Z)-2,4-decadienoate
 ethyl heptanoate
 ethyl hydrocinnamate
 ethyl phenyl acetate
 ethyl vanillin
isoeugenyl acetate
 farnesyl acetate
 floral pyran
 floral pyranol
 galbanum oil
 gardenia oxide
 geraniol
 geranyl acetate
(E)-geranyl acetone
(E)-geranyl linalool
 geranyl methyl tiglate
 globulol
 green acetate
 hawthorn ethanol
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl diethyl acetal
 heptanal dimethyl acetal
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl salicylate
(E)-3-hexenoic acid
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 hyacinth ether
 hydroxycitronellal
 immortelle absolute
 ionones
 leaf acetal
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 linalyl phenyl acetate
 maltyl isobutyrate
 melon nonenoate
 methyl 2-(methyl thio) butyrate
 methyl 2-methyl valerate
 methyl butyl phenyl acetate
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl isoeugenol
2-methyl octanal
 methyl thiomethyl butyrate
 mimosa absolute
 muguet carboxaldehyde
 musk acetate
 musks
 nerol
 nerolidol
 neryl acetate
 neryl isovalerate
 nonanal
 nonanal diethyl acetal
 nonanol
 ocean propanal
 octyl isovalerate
 orangeflower absolute
 passiflora acetate
 patchouli ethanone
 peony alcohol
 petitgrain oil
 phenethyl alcohol
 phenethyl anthranilate
 phenethyl isobutyrate
 phenethyl phenyl acetate
 phenethyl propionate
 phenethyl salicylate
 phenyl acetaldehyde
 phenyl acetaldehyde digeranyl acetal
 phenyl acetaldehyde dimethyl acetal
 phenyl acetic acid
3-phenyl propionaldehyde
 propyl isobutyrate
 raspberry ketone
 rhodinol
 rose absolute
 rose butanoate
 rose carboxylate
laevo-rose oxide
 rose oxides
 santall
 strawberry glycidate 1
 strawberry glycidate 2
 styralyl acetate
 styralyl propionate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
gamma-undecalactone
10-undecen-1-al
(E)-2-undecen-1-ol
2-undecen-1-ol
 vanilla absolute
 vanillyl acetate
 verbena oil
 verymoss
 violet leaf absolute
 violet methyl carbonate
 viridiflorol
 waxy acetate
 woody acetate
(odor and/or flavor) used in :
 apple
 apple green apple
 apricot
 banana
 blackberry
 blue grass
 bluebell
 broom genet genista
 butter
 caramel
 carnation dianthus oeillet
 cherry black cherry
 chocolate cocoa
 citrus
 crabapple blossom
 date
 fig
 fir needle
 floral
 freesia
 grape
 green
 honey miel
 honeysuckle chevrefeuille
 hyacinth jacinthe
 jasmin
 lime
 linden blossom limeflower tilleul
 magnolia
 malt
 mango
 muguet lily of the valley
 my sin
 nut pecan
 orange
 orris iris
 passion fruit
 peach
 peony
 pineapple
 plum
 raisin
 raspberry
 reseda mignonette
 rose
 rose leaf
 rose red rose
 rose white rose
 strawberry
 sweet pea pois de senteur
 tabu
 turbulences
 vanilla
 violet
 yeast
natural occurrence in :
apple
arctic bramble
beer
brandy
data pagecananga oil china @ 0.63%
data pagechampaca absolute @ 2.00%
data pagechampaca concrete @ 0.30%
cocoa
data pageeschweilera coriacea (a. p. dc.) mori flower oil brazil @ 0.80%
data pagegeranium leaf oil india @ 0.06%
data pagegeranium petiole oil india @ 0.09%
data pagegeranium stem oil india @ 0.25%
grape
data pagejasmin sambac absolute egypt @ 2.35%
lettice
melon
data pagenarcissus absolute @ 0.92%
data pageneroli oil CO2 extract @ 0.18%
olive
data pageosmanthus absolute @ trace%
pineapple
plum
data pagerose absolute morocco @ 0.30%
rose red
strawberry
tobacco burley
whiskey
wine
data pageylang ylang oil CO2 extract @ 0.16%
data pageylang ylang oil I (cananga odorata hook. f. and thomas.) @ 0.12%
data pageylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.04%
data pageylang ylang oil III @ 0.02%



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