1-amino-2-propanol
 
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IUPAC name :1-aminopropan-2-ol
InChI :InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
InChIKey :HXKKHQJGJAFBHI-UHFFFAOYAP
SMILES :CC(CN)O
(EINECS) number :201-162-7
cas number :78-96-6
beilstein number :0605275
fema number :3965
jecfa number :1591
molar refractivity :20.97 ± 0.3 cm3
parachor :194.6 ± 4.0 cm3
index of refraction :1.439 ± 0.02
surface tension :35.7 ± 3.0 dyne/cm
density :0.943 ± 0.06 g/cm3
polarizability :8.31 ± 0.5 10-24cm3
xlogp : -0.80
molecular weight : 75.1096600
formula :C3 H9 N O
BioActivity Analysis :69716
 
 
IUPAC name :(2R)-1-aminopropan-2-ol
InChI :InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1
InChIKey :HXKKHQJGJAFBHI-GSVOUGTGBU
SMILES :C[C@H](CN)O
(EINECS) number :220-532-9
cas number :2799-16-8
beilstein number :1718869
molar refractivity :20.97 ± 0.3 cm3
parachor :194.6 ± 4.0 cm3
index of refraction :1.439 ± 0.02
surface tension :35.7 ± 3.0 dyne/cm
density :0.943 ± 0.06 g/cm3
polarizability :8.31 ± 0.5 10-24cm3
xlogp : -0.80
molecular weight : 75.1096600
formula :C3 H9 N O
 
 
IUPAC name :(2S)-1-aminopropan-2-ol
InChI :InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKey :HXKKHQJGJAFBHI-VKHMYHEABZ
SMILES :C[C@@H](CN)O
(EINECS) number :220-533-4
cas number :2799-17-9
beilstein number :1718868
molar refractivity :20.97 ± 0.3 cm3
parachor :194.6 ± 4.0 cm3
index of refraction :1.439 ± 0.02
surface tension :35.7 ± 3.0 dyne/cm
density :0.943 ± 0.06 g/cm3
polarizability :8.31 ± 0.5 10-24cm3
xlogp : -0.80
molecular weight : 75.1096600
formula :C3 H9 N O
 
 
export tariff code :unspecified
fda reg :175.105
176.170
176.180
176.210
 

Suppliers :
Sigma-Aldrich-Aldrich :DL-1-Amino-2-propanol
 93%
 
 

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 : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97000 - 0.97600 @ 25.00 °C.
pounds per gallon - calc. : 8.071 to 8.121
refractive index :1.44500 - 1.45100 @ 20.00 °C.
melting point : -2.00 °C. @ 760.00 mm Hg
boiling point : 160.00 - 161.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : -0.96

safety :
Oral Toxicity(LD50) : Oral-Rat    1715.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 165.00  °F.  TCC  ( 73.89 °C. )
  
recommendation for 1-amino-2-propanol usage levels up to :
 not for fragrance use.
  
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
publication number : 20.
3965 average usual ppmaverage maximum ppm
baked goods : 0.010000.10000
beverages(nonalcoholic) : 0.030000.10000
beverages(alcoholic) : 0.030000.10000
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : 0.020000.20000
egg products : --
fats / oils : --
fish products : --
frozen dairy : 0.020000.20000
fruit ices : --
gelatins / puddings : 0.020000.20000
granulated sugar : --
gravies : --
hard candy : 0.020000.20000
imitation dairy : --
instant coffee / tea : 0.005000.01000
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : --
soups : --
sugar substitutes : --
sweet sauces : --

safety links :
(EINECS) number :201-162-7
rtecs :UA5775000 for 78-96-6
chemidplus :000078966
epa-srs :78-96-6
  
(EINECS) number :220-532-9
chemidplus :2799-16-8
epa-srs :2799-16-8
  
(EINECS) number :220-533-4
chemidplus :2799-17-9
epa-srs :2799-17-9
  
EPI System :Click here

other :
 

references :
jecfa number :1591
pubchem :149536
NIST Chemistry WebBook :3366652414
  
pubchem :36884081
  
pubchem :45538107
  
synonyms :
1-amino-2-propanol
dextro,laevo-1-amino-2-propanol
alpha-aminoisopropyl alcohol
1-aminopropan-2-ol
2-hydroxy-1-propyl amine
2-hydroxypropyl amine
1-methyl-2-aminoethanol
isopropanol amine
mono-isopropanol amine
 threamine
soluble in :
 alcohol
 water, 1000000 mg/L @ 25C
(odor and/or flavor) used in :
 buffering agents
natural occurrence in :
not found in nature



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