propyl alcohol
 
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IUPAC name :propan-1-ol
InChI :InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChIKey :BDERNNFJNOPAEC-UHFFFAOYAO
SMILES :CCCO
(EINECS) number :200-746-9
eu annex :603-003-00-0
cas number :71-23-8
beilstein number :1098242
fema number :2928
coe number :50
jecfa number :82
fl. number :02.002
molar refractivity :17.48 ± 0.3 cm3
parachor :168.2 ± 4.0 cm3
index of refraction :1.379 ± 0.02
surface tension :24.5 ± 3.0 dyne/cm
density :0.795 ± 0.06 g/cm3
polarizability :6.93 ± 0.5 10-24cm3
xlogp : 0.30
molecular weight : 60.0950200
formula :C3 H8 O
BioActivity Analysis :48414931
 
 
fda reg :172.515
175.105
176.180
176.210
177.1200
573.880
h. number :2905.12.0010
organoleptics : 
odor type :alcoholic
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
alcoholic fermented fusel musty
taste description³ :at 25.00 - 250.00 ppm.  
Alcoholic, earthy, fermented, fusel-like, with peanut nutty nuances as well as fruity nuances of apple, pear, bubble gum
substantivity :4  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.80000 - 0.80500 @ 25.00 °C.
pounds per gallon - calc. : 6.657 to 6.698
refractive index :1.38300 - 1.38800 @ 20.00 °C.
melting point :-127.00 - -126.00 °C. @ 760.00 mm Hg
boiling point : 97.00 - 98.00 °C. @ 760.00 mm Hg
boiling point : 52.00 - 53.00 °C. @ 100.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 0.25
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    1870.00  mg/kg  AMIHBC  10,61,1954
Dermal Toxicity(LD50) : Skin-Rabbit    mg/kg  AMIHBC  10,61,1954
  
flash point ( Deg. F. ) : 59.00  °F.  TCC  ( 15.00 °C. )
  
recommendation for propyl alcohol usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for propyl alcohol usage levels up to :
  250.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :200-746-9
rtecs :UH8225000 for 71-23-8
toxnet :71-23-8
epa-srs :71-23-8
pubchem :71-23-8
  
other : 
 
references : 
reference : Mosciano, Gerard P&F 26, No. 3, 80, (2001)³
synonyms :
 ethyl carbinol
1-hydroxypropane
N-propan-1-ol
 propanol
1-propanol
N-propanol
 propyl alcohol
1-propyl alcohol
N-propyl alcohol
 propylic alcohol
soluble in :
 alcohol
 ether
 water, 1000000 mg/L @ 25C
(odor and/or flavor) used in :
 apple
 banana
 brandy
 cognac
 fruit
 pear
 rum
 tequila
 tomato
natural occurrence in :
 apple
 apricot
 banana
 beer
 cognac
 gin
 honey
 rum
 sherry
 tea



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