phenethyl amine
 
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IUPAC name :2-phenylethanamine
InChI :InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey :BHHGXPLMPWCGHP-UHFFFAOYAE
SMILES :C1=CC=C(C=C1)CCN
(EINECS) number :200-574-4
cas number :64-04-0
beilstein number :0507488
fema number :3220
coe number :708
jecfa number :1589
fl. number :11.006
molar refractivity :39.33 ± 0.3 cm3
parachor :312.9 ± 4.0 cm3
index of refraction :1.537 ± 0.02
surface tension :38.1 ± 3.0 dyne/cm
density :0.962 ± 0.06 g/cm3
polarizability :15.59 ± 0.5 10-24cm3
xlogp : 1.30
molecular weight : 121.1796400
formula :C8 H11 N
BioActivity Analysis :75923
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :fishy
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
fishy
properties : 
appearence :colorless to pale yellow clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96100 - 0.96700 @ 25.00 °C.
pounds per gallon - calc. : 7.996 to 8.046
refractive index :1.52600 - 1.53200 @ 25.00 °C.
boiling point : 197.00 - 200.00 °C. @ 760.00 mm Hg
logp : 1.41
safety : 
Oral Toxicity(LD50) : Oral-Rat    800.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 195.00  °F.  TCC  ( 90.56 °C. )
  
recommendation for phenethyl amine usage levels up to :
 not for fragrance use.
  
recommendation for phenethyl amine usage levels up to :
  0.1000 ppm in the flavor.
  
safety links : 
(EINECS) number :200-574-4
rtecs :SG8750000 for 64-04-0
toxnet :64-04-0
epa-srs :64-04-0
pubchem :64-04-0
  
other : 
 
references : 
synonyms :
1-amino-2-phenyl ethane
beta-aminoethyl benzene
2-aminoethyl benzoate
(2-aminoethyl) benzene
 benzene ethanamine
 phenethyl amine
beta-phenethyl amine
2-phenyl ethyl amine
2-phenyl ethyl benzene
1-phenyl-2-aminoethane
soluble in :
 alcohol
 water, 63300 mg/L @ 25C
(odor and/or flavor) used in :
 fish
natural occurrence in :
 almond bitter almond



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