isoamyl valerate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3-methylbutyl pentanoate
InChI :InChI=1/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3
InChIKey :UBLAMKHIFZBBSS-UHFFFAOYAS
SMILES :CCCCC(=O)OCCC(C)C
(EINECS) number :218-081-8
cas number :2050-09-1
coe number :648
fl. number :09.198
molar refractivity :50.11 ± 0.3 cm3
parachor :452.1 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :27.4 ± 3.0 dyne/cm
density :0.872 ± 0.06 g/cm3
polarizability :19.86 ± 0.5 10-24cm3
xlogp : 3.50
molecular weight : 172.2646000
formula :C10 H20 O2
 
 
fda reg :unspecified h. number :2915.60.0000
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
ripe apple
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85800 - 0.86700 @ 25.00 °C.
pounds per gallon - calc. : 7.139 to 7.214
refractive index :1.41000 - 1.41800 @ 20.00 °C.
boiling point : 185.00 - 186.00 °C. @ 760.00 mm Hg
logp : 3.71
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 149.00  °F.  TCC  ( 65.00 °C. )
  
recommendation for isoamyl valerate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :218-081-8
chemidplus :002050091
epa-srs :2050-09-1
dtp/nci :7006
  
other : 
 
references : 
fl. number :09.198
pubchem :217125
NIST Chemistry WebBook :905959931
  
synonyms :
isoamyl valerate
3-methyl butyl pentanoate
3-methyl butyl valerate
 pentanoic acid 3-methyl butyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 apple
 apple crabapple
 apricot
 banana
 blackberry
 cherry black cherry
 cider
 date
 grape
 grenadine
 honey miel
 peach blossom
 quince
 rum
natural occurrence in :
apple
banana
pork cooked pork
rum
tomato



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