amyl valerate
 
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IUPAC name :pentyl pentanoate
InChI :InChI=1/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3
InChIKey :FGPPDYNPZTUNIU-UHFFFAOYAI
SMILES :CCCCCOC(=O)CCCC
(EINECS) number :218-528-7
cas number :2173-56-0
beilstein number :1754427
coe number :467
fl. number :09.149
molar refractivity :50.15 ± 0.3 cm3
parachor :454.7 ± 4.0 cm3
index of refraction :1.422 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :0.874 ± 0.06 g/cm3
polarizability :19.88 ± 0.5 10-24cm3
xlogp : 3.60
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 fruity apple
substantivity :4  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85100 - 0.85900 @ 25.00 °C.
pounds per gallon - calc. : 7.081 to 7.148
specific gravity :0.85700 - 0.86000 @ 25.00 °C.
pounds per gallon - calc. : 7.131 to 7.156
refractive index :1.41000 - 1.41500 @ 20.00 °C.
refractive index :1.41000 - 1.41700 @ 25.00 °C.
boiling point : 188.00 °C. @ 760.00 mm Hg
logp : 3.81
safety : 
Oral Toxicity(LD50) : Oral-Rat    35420.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 167.00  °F.  TCC  ( 75.00 °C. )
  
recommendation for amyl valerate usage levels up to :
  3.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :218-528-7
chemidplus :002173560
epa-srs :2173-56-0
dtp/nci :76414
  
other : 
 
references : 
pubchem :203837
NIST Chemistry WebBook :3440073734
  
synonyms :
 amyl valerate
 amyl valerianate
1-pentyl N-valerate
 pentyl pentanoate
 pentyl valerate
 valeric acid pentyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 apple
 apple blossom
 blueberry
 cider
natural occurrence in :
not found in nature



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