amyl propionate
 
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IUPAC name :pentyl propanoate
InChI :InChI=1/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3
InChIKey :TWSRVQVEYJNFKQ-UHFFFAOYAA
SMILES :CCCCCOC(=O)CC
(EINECS) number :210-852-7
eu annex :607-131-00-8
cas number :624-54-4
beilstein number :1747102
coe number :416
fl. number :09.135
molar refractivity :40.88 ± 0.3 cm3
parachor :375.1 ± 4.0 cm3
index of refraction :1.412 ± 0.02
surface tension :27.3 ± 3.0 dyne/cm
density :0.878 ± 0.06 g/cm3
polarizability :16.20 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 144.2114400
formula :C8 H16 O2
 
 
fda reg :unspecified h. number :2915.50.3000
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
pineapple apricot sweet fruity
properties : 
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86600 - 0.87100 @ 25.00 °C.
pounds per gallon - calc. : 7.206 to 7.248
refractive index :1.40500 - 1.40900 @ 20.00 °C.
boiling point : 160.00 - 161.00 °C. @ 760.00 mm Hg
boiling point : 81.00 - 82.00 °C. @ 50.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.83
safety : 
Oral Toxicity(LD50) : Oral-Rat    >14.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >14.00  gm/kg    
  
flash point ( Deg. F. ) : 133.00  °F.  TCC  ( 56.11 °C. )
  
recommendation for amyl propionate usage levels up to :
  4.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :210-852-7
rtecs :UA2533000 for 624-54-4
chemidplus :000624544
epa-srs :624-54-4
dtp/nci :7931
  
other : 
 
references : 
pubchem :155538
NIST Chemistry WebBook :2259900322
  
synonyms :
 amyl propanoate
 amyl propionate
N-amyl propionate
 pentyl propanoate
 pentyl propionate
N-pentyl propionate
 propanoic acid amyl ester
 propanoic acid pentyl ester
soluble in :
 alcohol
 fixed oils
 water, 810 mg/L @ 25C
insoluble in :
 water
 glycerin
 propylene glycol
(odor and/or flavor) used in :
 apricot
 fruit
 pineapple
natural occurrence in :
not found in nature



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