amyl formate
Notes :
Fruit topnotes.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :pentyl formate
InChI :InChI=1/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3
InChIKey :DIQMPQMYFZXDAX-UHFFFAOYAG
SMILES :CCCCCOC=O
(EINECS) number :211-340-6
eu annex :607-018-00-3
cas number :638-49-3
beilstein number :1743363
fema number :2068
coe number :497
jecfa number :119
fl. number :09.159
molar refractivity :31.77 ± 0.3 cm3
parachor :299.4 ± 4.0 cm3
index of refraction :1.399 ± 0.02
surface tension :27.0 ± 3.0 dyne/cm
density :0.884 ± 0.06 g/cm3
polarizability :12.59 ± 0.5 10-24cm3
xlogp : 1.90
molecular weight : 116.1582800
formula :C6 H12 O2
 
 
fda reg :172.515 h. number :2915.13.0000
organoleptics : 
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
powerful ether fruity alcoholic green earthy
substantivity :4  Hour(s)
properties : 
appearence :colorless to pale yellow clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88100 - 0.88700 @ 25.00 °C.
pounds per gallon - calc. : 7.331 to 7.381
refractive index :1.39600 - 1.40200 @ 20.00 °C.
melting point : -73.00 - -72.00 °C. @ 760.00 mm Hg
boiling point : 128.00 - 130.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
logp : 1.89
safety : 
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
Maximised Survey-derived Daily Intakes (MSDI) :29.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 83.00  °F.  TCC  ( 28.33 °C. )
  
recommendation for amyl formate usage levels up to :
  3.0000 % in the fragrance concentrate.
  
recommendation for amyl formate usage levels up to :
  170.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :211-340-6
rtecs :LQ9370000 for 638-49-3
chemidplus :000638493
epa-srs :638-49-3
dtp/nci :72023
  
other : 
 
references : 
pubchem :155853
NIST Chemistry WebBook :1933580565
  
synonyms :
 amyl formate
N-amyl formate
 amyl formiate
 amyl methanoate
 formic acid amyl ester
 formic acid pentyl ester
 pentyl formate
N-pentyl formate
N-pentyl methanoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 apple
 apricot
 banana
 ethereal
 fresh
 fruit
 fungus
 nut hazelnut
 rum
 strawberry
natural occurrence in :
pyrus malus



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