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
cas number :87-22-9
(EINECS) number :201-732-5
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 (IUPAC)
formula :C15 H14 O3
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2918.23.0000
fda reg :172.515
Suppliers :
Berje :Phenyl Ethyl Salicylate
IFF :Phenyl Ethyl Salicylate
Odor:  Balsamic, Floral, Rose
Rosy character, very sweet but mild and balsamic.
Inoue :PHENETHYL SALICYLATE
John D. Walsh :Phenyl Ethyl Salicylate
Moellhausen :phenylethyl salicylate
97% min. nature identical kosher
Odor:  medicinal, balsamic, slightly fruity-floral
Flavor:  medicinal, balsamic
Penta :phenethyl salicylate
SAFC Global® :Phenethyl salicylate
≥97%, Kosher
Odor:  balsam; carnation; hyacinth; rose
organoleptics :
odor type :floral
odor strength :low
odor description:
at 100.00 %.  		balsamic floral rose hyacinth carnation
Luebke, William tgsc, (1982)
odor sample from :Berje Inc.
substantivity :232  Hour(s)
properties :
appearence :white crystalline powder
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 39.00 to 41.00 °C. @ 760.00 mm Hg
boiling point : 370.00 °C. @ 760.00 mm Hg
boiling point : 190.00 °C. @ 5.00 mm Hg
congealing point :41.00 °C.
acid value : 1.00  max.  KOH/g
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 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.
  R 36/38 - Irritating to skin and eyes.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Human experience : 8 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Moreno, 1973ab)

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :4.00 (μg/capita/day)
 
maximum skin levels for fine fragrances :
  1.4900 %   and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).  (IFRA, 2002)
recommendation for phenethyl salicylate fragrance usage levels up to :
  12.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics :
  1.8827 %
dermal systemic exposure in cosmetic products :
 0.0480 mg/kg/day  (IFRA, 2002)
recommendation for phenethyl salicylate flavor usage levels up to :
  15.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
msds :msds
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3077
 
WGK Germany :2
 
 
 
 
2-phenylethyl 2-hydroxybenzoate
(EINECS) number :201-732-5
chemidplus :000087229
EPA Substance Registry Services :87-22-9
dtp/nci :72035
references :
 
2-phenylethyl 2-hydroxybenzoate
fl. number :09.753
jecfa number :905
NIST Chemistry WebBook :518388908
pubchem :203612
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 benzyl carbinyl 2-hydroxybenzoate
 benzyl carbinyl salicylate
2-hydroxybenzoic acid 2-phenethyl ester
2-hydroxybenzoic acid 2-phenyl ethyl ester
2-phenyl ethyl 2-hydroxybenzoate
2-phenyl ethyl salicylate
2-phenylethyl 2-hydroxybenzoate
 salicylic acid phenethyl ester
 salicylic acid phenyl ethyl ester
Similar Products:    note
 allyl salicylate
 amyl salicylate
isoamyl salicylate
 benzyl salicylate
 bornyl salicylate
 butyl salicylate
isobutyl salicylate
 cinnamyl salicylate
ortho-cresyl salicylate
para-cresyl salicylate
 cyclohexyl salicylate
 decyl salicylate
2-ethyl hexyl salicylate
 ethyl salicylate
 heptyl salicylate
(Z)-3-hexen-1-yl salicylate
 hexyl salicylate
 menthyl salicylate
homomenthyl salicylate
2-methyl butyl salicylate
 methyl salicylate
 octyl salicylate
3-phenyl propyl salicylate
 phenyl salicylate
 prenyl salicylate
 propyl salicylate
isopropyl salicylate
soluble in :
 alcohol
 paraffin oil
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 shampoo
 soap
potential blenders :    note
 acetaldehyde ethyl phenethyl acetalFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzyl salicylateFL/FR
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
isobutyl salicylateFL/FR
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 costus valerolactoneFR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 ethyl cinnamateFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 gardenia oxideFR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 ionones 
 leerallFR
 linalool oxideFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 musks 
beta-naphthyl ethyl etherFL/FR
 nerolidolFL/FR
 ocean propanalFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 peony alcoholFR
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 rhodinolFL/FR
 santallFR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 woody acetateFR
 woody amyleneFR
potential uses :
 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 :    note
 not found in nature  


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