phenethyl salicylate
 
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IUPAC name :2-phenylethyl 2-hydroxybenzoate
InChI :InChI=1/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey :YNMSDIQQNIRGDP-UHFFFAOYAX
SMILES :C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2O
(EINECS) number :201-732-5
cas number :87-22-9
fema number :2868
coe number :437
jecfa number :905
fl. number :09.753
molar refractivity :69.02 ± 0.3 cm3
parachor :539.0 ± 4.0 cm3
index of refraction :1.595 ± 0.02
surface tension :49.7 ± 3.0 dyne/cm
density :1.193 ± 0.06 g/cm3
polarizability :27.36 ± 0.5 10-24cm3
xlogp : 4.40
molecular weight : 242.2698600
formula :C15 H14 O3
 
 
fda reg :unspecified h. number :2918.23.0000
organoleptics : 
odor type :floral
odor strength :low
odor description :
at 100.00 %.  
balsam floral rose hyacinth carnation
substantivity :232  Hour(s)
properties : 
appearence :white crystalline powder
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 39.00 - 41.00 °C. @ 760.00 mm Hg
boiling point : 370.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.31
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 N - Irritant, Dangerous for the environment.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
  
recommendation for phenethyl salicylate usage levels up to :
  10.0000 % in the fragrance concentrate.
  
recommendation for phenethyl salicylate usage levels up to :
  15.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :201-732-5
chemidplus :000087229
epa-srs :87-22-9
dtp/nci :72035
  
other : 
  C of A
references : 
jecfa number :905
fl. number :09.753
pubchem :203612
NIST Chemistry WebBook :518388908
  
synonyms :
 benzyl carbinyl 2-hydroxybenzoate
 benzyl carbinyl salicylate
2-hydroxybenzoic acid 2-phenethyl ester
2-hydroxybenzoic acid 2-phenyl ethyl ester
 phenethyl salicylate
2-phenyl ethyl 2-hydroxybenzoate
2-phenyl ethyl salicylate
 salicylic acid phenethyl ester
 salicylic acid phenyl ethyl ester
soluble in :
 alcohol
 paraffin oil
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 shampoo
 soap
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
para-anisaldehyde
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzyl salicylate
 bois de rose oil
isobutyl cinnamate
isobutyl salicylate
 cinnamyl alcohol
 citronellol
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 costus valerolactone
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 ethyl cinnamate
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 gardenia oxide
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 ionones
 leerall
 linalool oxide
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 musks
beta-naphthyl ethyl ether
 nerolidol
 ocean propanal
 orris pyridine
 patchouli ethanone
 peony alcohol
 phenethyl acetate
 phenethyl phenyl acetate
3-phenyl propyl alcohol
 raspberry ketone
 rhodinol
 santall
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
 vanilla absolute
 vanillyl acetate
 verymoss
 woody acetate
 woody amylene
(odor and/or flavor) used in :
 alpine bouquet
 amber
 apricot
 artichoke
 ash mountain ash
 asparagus
 azalea
 balsam
 bark
 bayberry
 bouquet
 broom genet genista
 cabreuva
 carnation dianthus oeillet
 cassie acacia farnesiana
 chestnut blossom
 cilantro
 clematis
 clover trefle le'trefle incarnat
 coronilla
 crabapple blossom
 cucumber
 cyclamen
 daffodil narcissus
 earth humus
 elder blossom
 fern fougere
 fir balsam
 fixer
 freesia
 gardenia
 hawthorn
 heather
 herbal
 honeysuckle chevrefeuille
 hugonia
 hyacinth jacinthe
 incense
 kewda
 leaf autumn leaf
 leather
 lettuce
 lilac lilas syringa
 lily
 lotus
 meadow
 mimosa wattle
 muguet lily of the valley
 narcissus narcisse
 orchid
 pansy
 peach
 pear prickly pear
 petunia
 pineapple
 poppy
 poppy red poppy
 privet blossom
 redwood
 reseda mignonette
 rhubarb
 rose
 rose tea rose
 stephanotis
 stock evening scented stock
 styrax
 sweet pea pois de senteur
 tea
 tuberose tubereuse
 violet leaf
 wintergreen
 woody
 yew
 ylang ylang cananga
natural occurrence in :
not found in nature



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