benzyl acetate
 
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IUPAC name :phenylmethyl acetate
InChI :InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey :QUKGYYKBILRGFE-UHFFFAOYAD
SMILES :CC(=O)OCC1=CC=CC=C1
(EINECS) number :205-399-7
cas number :140-11-4
beilstein number :1908121
fema number :2135
coe number :204
jecfa number :23
fl. number :09.014
molar refractivity :42.20 ± 0.3 cm3
parachor :348.3 ± 4.0 cm3
index of refraction :1.505 ± 0.02
surface tension :35.9 ± 3.0 dyne/cm
density :1.055 ± 0.06 g/cm3
polarizability :16.73 ± 0.5 10-24cm3
xlogp : 2.00
molecular weight : 150.1745000
formula :C9 H10 O2
BioActivity Analysis :70819
 
 
fda reg :172.515 h. number :2915.39.1000
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
sweet floral fruity jasmin fresh
taste description³ :at 30.00 ppm.  
Fruity, sweet, with balsamic and jasmine floral undernotes
substantivity :4 hour(s) at 100.00 %
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.05200 - 1.05600 @ 25.00 °C.
pounds per gallon - calc. : 8.754 to 8.787
specific gravity :1.05900 - 1.06200 @ 15.00 °C.
pounds per gallon - calc. : 8.830 to 8.855
refractive index :1.50100 - 1.50400 @ 20.00 °C.
melting point : -51.00 - -50.00 °C. @ 760.00 mm Hg
boiling point : 206.00 - 210.00 °C. @ 760.00 mm Hg
boiling point : 128.00 - 129.00 °C. @ 50.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 1.96
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) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    2490.00  mg/kg  FCTXAV  2,327,1964
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg  FCTXAV  11,875,1973
  
flash point ( Deg. F. ) : 216.00  °F.  TCC  ( 102.22 °C. )
  
recommendation for benzyl acetate usage levels up to :
  30.0000 % in the fragrance concentrate.
  
recommendation for benzyl acetate usage levels up to :
  760.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :205-399-7
rtecs :AF5075000 for 140-11-4
chemidplus :000140114
epa-srs :140-11-4
dtp/nci :4550
  
other : 
  C of A
references : 
pubchem :151938
NIST Chemistry WebBook :3377885186
  
reference : Mosciano, Gerard P&F 15, No. 4, 59, (1990)³
synonyms :
 acetic acid benzyl ester
 acetic acid phenyl methyl ester
alpha-acetoxytoluene
 benteine
 benzyl acetate
 benzyl ethanoate
 phenyl methyl acetate
 phenyl methyl ethanoate
soluble in :
 ethyl alcohol, 5 vol. of 60% alcohol
 fixed oils
 kerosene
 paraffin oil
 propylene glycol
 water-alcohol mixtures: 30% 1:200, 35% 1:120 40% 1:70 50% 1:20 60% 1:5
insoluble in :
 water
 glycerin
stability :
 non-discoloring in most media
(odor and/or flavor) blends with :
 acetophenone
 allyl cyclohexyl propionate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
para-anisyl acetate
 atractylis absolute
 beeswax absolute
 benzoin resinoid
 benzyl alcohol
 benzyl butyrate
 benzyl cinnamate
 benzyl isobutyrate
 benzyl isovalerate
 benzyl propionate
 bois de rose oil
 caraway seed oil
 cassia bark oil
 citronellol
 clove bud oil
 coriander seed oil
 cyclamen aldehyde
 dihydrojasmone
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 ethyl butyrate
 ethyl cinnamate
 ethyl heptanoate
 floral pyranol
 gardenia oxide
 geraniol
 ginger root oil
 green acetate
 heliotropin
 heliotropyl acetone
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 ionones
 jasmin absolute
 lavender absolute
 leerall
laevo-linalool
 linalool oxide
 melon heptenal
 methyl dihydrojasmonate
 methyl ionones
 mimosa absolute
beta-naphthyl ethyl ether
 nerolidol
 nonanol
 ocean propanal
 palmarosa oil
 phenethyl acetate
 phenethyl isobutyrate
 phenethyl propionate
 raspberry ketone
 rose absolute
 rose butanoate
 santall
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
 tuberose absolute
gamma-undecalactone
 vanillin
 verymoss
 violet leaf absolute
 watermelon ketone
 woody acetate
 ylang ylang oil
(odor and/or flavor) used in :
 a suma
 acacia
 aldehydic
 almond
 amber
 ambrene
 angel
 apple
 apricot
 balsam
 banana
 bayberry
 bellodgia
 bergamot
 blackberry
 blue grass
 blue mist
 bluebell
 blueberry
 bouquet
 broom genet genista
 bubblegum
 butter
 carnation dianthus oeillet
 cassie acacia farnesiana
 cedar
 chanel #5
 cherry
 cherry blossom
 christmas blends
 cinq fleurs forvil
 citrus
 coconut
 coffee
 cologne
 crabapple blossom
 cranberry
 decumaria
 elder blossom
 fern fougere
 floral
 florida breeze
 fresh
 gardenia
 ginger white ginger
 grape
 heather
 heliotrope
 herbal
 hibiscus
 honeysuckle chevrefeuille
 hyacinth jacinthe
 jasmin
 jicky
 jonquil narcissus jonquilla
 joy
 lemon
 licorice
 lilac lilas syringa
 lily
 linden blossom limeflower tilleul
 lumiere
 lux beauty shower soap
 magnolia
 meadow
 melon watermelon muskmelon cantaloupe
 mint
 muguet lily of the valley
 mulberry
 musk
 my sin
 narcissus narcisse
 neroli
 new car
 olive
 orange blossom fleur d'oranger
 orchid
 oriental
 outdoors fresh outdoors
 passion fruit
 peach
 pear
 petunia
 pina colada
 pineapple
 plum
 plum greengage plum
 potpourri
 powder
 presence
 quince
 rain
 raspberry
 rose
 rose d'orient
 rose tea rose
 rose white rose
 sandalwood
 scandal
 shalimar
 spice
 strawberry
 sweet pea pois de senteur
 tabu
 tea
 tide
 tuberose tubereuse
 tutti frutti
 violet
 wallflower giroflee
 woodruff asperula
 woody
 ylang ylang cananga
 zibeline
natural occurrence in :
data pagecananga oil china @ 24.14%
data pagecassie absolute @ 0.75%
data pagechampaca absolute (michelia alba dc.) @ 0.33%
data pagechampaca absolute @ 4.00%
data pagechampaca concrete @ 0.60%
gardenia
hyacinth
jasmin
data pagejasmin absolute china @ 23.92%
data pagejasmin absolute concrete egypt @ 26.08%
data pagejasmin absolute concrete india @ 24.15-29.65%
data pagejasmin absolute concrete italy @ 26.84%
data pagejasmin sambac absolute egypt @ 21.20%
loiseleuria procumbens desv. (azalea)
data pagenarcissus absolute @ 24.14%
data pagenarcissus absolute @ 9.53%
data pagenarcissus absolute @ 9.58%
neroli
data pageosmanthus absolute @ 0.08%
strawberry
tuberose
ylang ylang
data pageylang ylang oil @ 11.63%
data pageylang ylang oil CO2 extract @ 6.15%
data pageylang ylang oil I (cananga odorata hook. f. and thomas.) @ 7.68%
data pageylang ylang oil II (cananga odorata hook. f. and thomas.) @ 1.68%
data pageylang ylang oil III @ 0.69%



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