allyl alcohol
 
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IUPAC name :prop-2-en-1-ol
InChI :InChI=1/C3H6O/c1-2-3-4/h2,4H,1,3H2
InChIKey :XXROGKLTLUQVRX-UHFFFAOYAC
SMILES :C=CCO
(EINECS) number :203-470-7
eu annex :603-015-00-6
cas number :107-18-6
coe number :2136
fl. number :02.068
molar refractivity :17.20 ± 0.3 cm3
parachor :157.2 ± 4.0 cm3
index of refraction :1.402 ± 0.02
surface tension :24.5 ± 3.0 dyne/cm
density :0.822 ± 0.06 g/cm3
polarizability :6.82 ± 0.5 10-24cm3
xlogp : 0.10
molecular weight : 58.0791400
formula :C3 H6 O
BioActivity Analysis :72493
 
 
export tariff code :2905.29.1000
fda reg :unspecified
 
 

organoleptics :
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
pungent mustard

properties :
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85100 - 0.85600 @ 25.00 °C.
pounds per gallon - calc. : 7.081 to 7.123
refractive index :1.41200 - 1.41400 @ 20.00 °C.
melting point :-129.00 °C. @ 760.00 mm Hg
boiling point : 97.00 - 98.00 °C. @ 760.00 mm Hg
logp : 0.17

safety :
Oral Toxicity(LD50) : Oral-Rat    64.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  45.00  mg/kg    
  
flash point ( Deg. F. ) : 72.00  °F.  TCC  ( 22.22 °C. )
  
recommendation for allyl alcohol usage levels up to :
 not for fragrance use.
  

safety links :
(EINECS) number :203-470-7
rtecs :BA5075000 for 107-18-6
chemidplus :000107186
epa-srs :107-18-6
dtp/nci :6526
  
EPI System :Click here

other :
 

references :
fl. number :02.068
pubchem :150961
NIST Chemistry WebBook :1467869924
  
synonyms :
 allyl alcohol
3-hydroxypropene
 prop-2-en-1-ol
2-propen-1-ol
2-propen-1-yl alcohol
2-propenol
2-propenyl alcohol
 vinyl carbinol
soluble in :
 alcohol
 water, 1000000 mg/L @ 20C
natural occurrence in :
not found in nature



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