propyl valerate
 
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IUPAC name :propyl pentanoate
InChI :InChI=1/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3
InChIKey :ROJKPKOYARNFNB-UHFFFAOYAD
SMILES :CCCCC(=O)OCCC
(EINECS) number :205-452-4
cas number :141-06-0
coe number :679
fl. number :09.202
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 :2915.60.0000
organoleptics : 
odor type :ethereal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
ethereal metallic animal
properties : 
appearence :colorless to pale yellow clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87200 @ 20.00 °C.
refractive index :1.40500 @ 20.00 °C.
boiling point : 167.00 - 168.00 °C. @ 760.00 mm Hg
logp : 2.83
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 100.00  °F.  TCC  ( 37.78 °C. )
  
recommendation for propyl valerate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :205-452-4
chemidplus :000141060
epa-srs :141-06-0
dtp/nci :57638
  
other : 
 
references : 
pubchem :209436
NIST Chemistry WebBook :2172577372
  
synonyms :
 pentanoic acid propyl ester
 propyl pentanoate
 propyl valerate
 valeric acid propyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 animal
 apple
 metallic
natural occurrence in :
apple



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