passiflora acetate
IUPAC name :3-acetylsulfanylhexyl acetate
InChI :InChI=1/C10H18O3S/c1-4-5-10(14-9(3)12)6-7-13-8(2)11/h10H,4-7H2,1-3H3
InChIKey :GSJSVAFGVJLTNQ-UHFFFAOYAN
SMILES :CCCC(CCOC(=O)C)SC(=O)C
cas number :136954-25-1
fema number :3816
jecfa number :494
fl. number :12.278
xlogp : 2.20
molecular weight : 218.3131200
formula :C10 H18 O3 S
 
 
fda reg. :
organoleptics : 
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
sulfury metallic buchu catty sweet fruity tropical
taste description³ :at 0.05 - 1.00 ppm.  
Sulfurous, juicy, tropical fruit with fuzzy guava and passion fruit notes. Savory boiled egg and cooked onion
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.03500 - 1.04000 @ 25.00 °C.
pounds per gallon - calc. : 8.612 to 8.654
refractive index :1.46800 - 1.47500 @ 20.00 °C.
boiling point : 212.00 °C. @ 760.00 mm Hg
logp : 2.62
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 257.00  °F.  TCC  ( 125.00 °C. )
  
recommendation for passiflora acetate usage levels up to :
  0.0500 % in the fragrance concentrate.
  
recommendation for passiflora acetate usage levels up to :
  1.0000 ppm in the flavor.
  
safety links : 
chemidplus :136954-25-1
epa-srs :136954-25-1
  
other : 
 
references : 
pubchem :30091772
  
reference : Mosciano, Gerard P&F 25, No. 4, 71, (2000)³
synonyms :
3-acetyl mercaptohexyl acetate
3-acetyl thiohexyl acetate
 passiflora acetate
 passifloran
soluble in :
 alcohol
 heptane
insoluble in :
 water
(odor and/or flavor) used in :
 citrus
 currant black currant
 durian
 fruit tropical fruit
 grapefruit
 guava
 mango
 melon
 papaya
 passion fruit
 peach
 pineapple
natural occurrence in :
found in nature



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