allyl salicylate
 
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IUPAC name :prop-2-enyl 2-hydroxybenzoate
InChI :InChI=1/C10H10O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6,11H,1,7H2
InChIKey :YYKBLDCLPBWOOE-UHFFFAOYAP
SMILES :C=CCOC(=O)C1=CC=CC=C1O
(EINECS) number :233-992-0
cas number :10484-09-0
molar refractivity :48.89 ± 0.3 cm3
parachor :395.7 ± 4.0 cm3
index of refraction :1.548 ± 0.02
surface tension :43.7 ± 3.0 dyne/cm
density :1.158 ± 0.06 g/cm3
polarizability :19.38 ± 0.5 10-24cm3
xlogp : 3.20
molecular weight : 178.1846000
formula :C10 H10 O3
BioActivity Analysis :477915
 
 
fda reg :unspecified h. number :2918.23.0000
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
banana pineapple wintergreen
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.10000 @ 15.00 °C.
boiling point : 247.00 - 250.00 °C. @ 760.00 mm Hg
boiling point : 107.00 - 112.00 °C. @ 4.00 mm Hg
logp : 3.06
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 234.00  °F.  TCC  ( 112.22 °C. )
  
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl salicylate usage levels up to :
  0.5000 % in the fragrance concentrate.
  
recommendation for allyl salicylate usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :233-992-0
chemidplus :010484090
epa-srs :10484-09-0
dtp/nci :408281
  
other : 
 
references : 
pubchem :208411
NIST Chemistry WebBook :3224459720
  
synonyms :
 allyl salicylate
2-hydroxybenzoic acid 2-propenyl ester
 prop-2-enyl 2-hydroxybenzoate
 salicylic acid allyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 banana
 fruit
 grape
 herbal
 modifier
 mustard
 vinegar
 wintergreen
natural occurrence in :
not found in nature



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