phenethyl formate
Notes :
Lilac lilas syringa modifier.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-phenylethyl formate
InChI :InChI=1/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey :IKDIJXDZEYHZSD-UHFFFAOYAH
SMILES :C1=CC=C(C=C1)CCOC=O
(EINECS) number :203-220-7
cas number :104-62-1
beilstein number :2044524
fema number :2864
coe number :350
jecfa number :988
fl. number :09.083
molar refractivity :42.36 ± 0.3 cm3
parachor :352.2 ± 4.0 cm3
index of refraction :1.506 ± 0.02
surface tension :37.3 ± 3.0 dyne/cm
density :1.054 ± 0.06 g/cm3
polarizability :16.79 ± 0.5 10-24cm3
xlogp : 1.90
molecular weight : 150.1745000
formula :C9 H10 O2
BioActivity Analysis :474648
 
 
fda reg :unspecified h. number :2915.13.0000
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
rose green hyacinth watercress herbal
substantivity :68  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05600 - 1.06200 @ 25.00 °C.
pounds per gallon - calc. : 8.787 to 8.837
specific gravity :1.05900 - 1.06700 @ 20.00 °C.
pounds per gallon - calc. : 8.822 to 8.889
refractive index :1.50600 - 1.51000 @ 20.00 °C.
boiling point : 226.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 1.96
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    3220.00  mg/kg  FCTXAV  12,959,1974
Dermal Toxicity(LD50) : Skin-Rabbit  >5000.00  mg/kg  FCTXAV  12,959,1974
  
flash point ( Deg. F. ) : 196.00  °F.  TCC  ( 91.11 °C. )
  
recommendation for phenethyl formate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for phenethyl formate usage levels up to :
  15.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :203-220-7
rtecs :LQ9400000 for 104-62-1
chemidplus :000104621
epa-srs :104-62-1
dtp/nci :404456
  
other : 
 
references : 
jecfa number :988
fl. number :09.083
pubchem :150802
NIST Chemistry WebBook :3030419709
  
synonyms :
 benzene ethanol formate
 benzyl carbinyl formate
 benzyl carbinyl methanoate
 formic acid 2-phenethyl ester
 formic acid 2-phenyl ethyl ester
 phenethyl alcohol formate
 phenethyl formate
2-phenethyl formate
 phenyl ethyl alcohol formate
2-phenyl ethyl formate
beta-phenyl ethyl formate
2-phenyl ethyl methanoate
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent perborate
 fabric softener
 liquid detergent
 shampoo
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
6-acetoxydihydrotheaspirane
 allyl amyl glycolate
 allyl cyclohexyl propionate
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
para-anisaldehyde
para-anisyl alcohol
 basil oleoresin sweet
 benzaldehyde
 benzyl acetate
 benzyl alcohol
 benzyl isobutyrate
 benzyl isothiocyanate
 benzyl methyl ether
 benzyl propionate
 benzyl salicylate
 bois de rose oil
isobutyl benzoate
isobutyl quinoline
isobutyl quinoline
isobutyl salicylate
 caraway seed oil
 carnation absolute
 carrot seed oil
 cassia bark oil
 champaca absolute
 champaca flower oil
 cinnamyl alcohol
 citronellol
 citronellyl acetate
 citrus carbaldehyde / methyl anthranilate schiff's base
 clary sage absolute
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
para-cresyl phenyl acetate
(-)-cubenol
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
beta-damascone
gamma-damascone
 decanal
9-decen-1-ol
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl propionate
 dimethyl salicylate
2,4-dimethyl thiazole
 diphenyl oxide
(E)-ethyl geranate
 ethyl hydrocinnamate
 ethyl phenyl acetate
 ethyl vanillin
 floral pyranol
 galbanum ketone
 genet absolute
 geraniol
 geranyl acetate
 geranyl formate
 green acetate
 green ether
 guaiacyl phenyl acetate
(-)-guaiol
 guaiyl acetate
 heliotropyl diethyl acetal
 heptyl butyrate
 heptyl cinnamate
 hexanal diethyl acetal
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl salicylate
 hexyl acetate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth absolute
 hyacinth butanal
 hyacinth ether
 hydroxycitronellal
 ionones
2,4-ivy carbaldehyde
 kewda absolute
 kewda oil
 lavender absolute
 leaf acetal
 leafy acetal
 leather cyclohexanol
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 melon nonenoate
 methyl acetophenone
 methyl benzoate
 methyl dihydrojasmonate
 methyl heptenone
alpha-isomethyl ionone (90% min.)
 methyl isoeugenol
 methyl phenyl acetate
2-methyl undecanal
 muguet carboxaldehyde
 muguet undecadienal
 musks
 narcissus acetate
 nerol
 neryl acetate
 nonanal
 nonanol
 ocean propanal
 orange oil
 orangeflower absolute
 patchouli ethanone
 peony alcohol
 petitgrain oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl isobutyrate
2-phenethyl isothiocyanate
 phenethyl oxyacetaldehyde
 phenethyl propionate
 phenethyl salicylate
 phenoxyacetaldehyde 50% in benzyl alcohol
 phenyl acetaldehyde
 phenyl acetaldehyde / methyl anthranilate schiff's base
 phenyl acetaldehyde dimethyl acetal
 phenyl acetaldehyde ethylene glycol acetal
 phenyl glycol diacetate
2-phenyl propionaldehyde
3-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
(E)-2-phenyl-1(2)-propene-1-yl acetate
ketoisophorone
 raspberry ketone methyl ether
 reseda absolute
 reseda acetal
 rhodinol
 rose butanoate
 rose oxides
 rose pyran
 santall
 styralyl acetate
 styralyl alcohol
 tea acetate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
 tetrahydromyrcenol
10-undecen-1-al
 vanillyl acetate
 verbena absolute france
 verymoss
 violet methyl carbonate
 woody acetate
(odor and/or flavor) used in :
 acorn
 agrumen
 aldehydic
 almond blossom
 apple
 apple crabapple
 ash mountain ash
 balsam
 banana
 bark
 bayberry
 blackberry
 blue grass
 bouquet
 boxwood
 brandy
 briar sweet briar eglantine
 broom genet genista
 burberry
 capsicum
 carnation dianthus oeillet
 cascarilla
 cedar forest
 cedarleaf
 celery
 cherry
 cherry black cherry
 cherry blossom
 chestnut blossom
 chrysanthemum chrysantheme
 cider
 cilantro
 citrus
 clematis
 cloudberry bakeapple
 clover trefle le'trefle incarnat
 coffee
 cognac
 colonia
 coronilla
 crabapple blossom
 currant
 daffodil narcissus
 dahlia
 daisy
 daphne
 evergreen
 fern fougere
 flouve
 foliage
 frangipanni plumeria
 freesia
 ginger white ginger
 gooseberry
 grapefruit
 grass sweet grass
 green
 guava
 hay new mown hay foin coupe
 heather
 herbal
 hyacinth jacinthe
 hydrangea
 jackfruit
 jasmin
 jonquil narcissus jonquilla
 juniperberry
 kewda
 kiwi
 labdanum
 lavender
 leaf autumn leaf
 leather
 lilac lilas syringa
 lychee soapberry
 mango
 mango blossom
 marjoram
 mate
 meadow
 millefleurs
 muguet lily of the valley
 narcissus narcisse
 nut filbert
 nut walnut
 ocean sea
 orange bitter orange
 orchid
 pear
 pear prickly pear
 pennyroyal
 peony
 pepper tabasco pepper
 pepper tree
 peppermint
 petunia
 pine
 pineapple
 pinon cone
 plum
 plum blossom
 plum greengage plum
 privet
 privet blossom
 prune
 radish
 raspberry
 reseda mignonette
 rhubarb
 rose
 rose dog rose
 rose geranium
 rose moss rose
 rose white rose
 rose wild rose
 sherry
 starfruit
 stephanotis
 tea black tea
 tea green tea
 tobacco tabac tabaco
 topnotes
 tuberose tubereuse
 verbena verveine
 wallflower giroflee
 wasabi
 watercress nasturtium
 whiskey
 white shoulders
 wistaria wisteria glycine
 wormwood absinthium
 ylang ylang cananga
natural occurrence in :
blackberry
data pagechampaca concrete @ 0.30%
cider
coffee
data pageosmanthus absolute @ 0.01%
raspberry
tea
whiskey



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