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
cas number :78-96-6
(EINECS) number :201-162-7
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
XlogP3 : -1.00
molecular weight : 75.1096600 (IUPAC)
formula :C3 H9 N O
BioActivity Analysis :69716
NMR Predictor :Predict
 
 
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
cas number :2799-16-8
(EINECS) number :220-532-9
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
XlogP3 : -1.00
molecular weight : 75.1096600 (IUPAC)
formula :C3 H9 N O
NMR Predictor :Predict
 
 
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
cas number :2799-17-9
(EINECS) number :220-533-4
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
XlogP3 : -1.00
molecular weight : 75.1096600 (IUPAC)
formula :C3 H9 N O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :175.105
176.170
176.180
176.210
Suppliers :
Nanjing :1-Amino-2-propanol
orders in chinese.
Penta :1-amino-2-propanol
Pfaltz & Bauer :1-Amino-2-Propanol
Tech. Grade
SAFC Global® :DL-1-Amino-2-propanol
≥90%
TCI AMERICA :DL-1-Amino-2-propanol
>98.0%(GC)(T)
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 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97000 to 0.97600 @ 25.00 °C.
pounds per gallon - calc. : 8.071 to 8.121
refractive index :1.44500 to 1.45100 @ 20.00 °C.
melting point : -2.00 °C. @ 760.00 mm Hg
boiling point : 160.00 to 161.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.47000 mm/Hg @ 25.00 °C.
vapor density :2.6 ( Air = 1 )
flash point : 165.00  °F.  TCC  ( 73.89 °C. )
logP (o/w) : -0.96
safety :
most important hazard(s) :C - Corrosive.
  R 34 - Causes burns.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 36 - Wear suitable protective clothing.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Oral Toxicity(LD50) : 
  Oral-Rat    1715.00  mg/kg
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(7), Pg. 46, 1986.

Intraperitoneal-Mouse    250.00  mg/kg
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center.Vol.4,Pg232,1952

Dermal Toxicity(LD50) : 
  Skin-Rabbit  1640.00  ul/kg
Union Carbide Data Sheet. Vol. 5/21/1971

Skin-Mammal ?  >1000.00  mg/kg
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(7), Pg. 46, 1986.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :food-contact surface of paper and paperboard
 
recommendation for 1-amino-2-propanol fragrance 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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 20
 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 references :
EPI System :view
IUCLID :view
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
WISER :UN 2735
 
WGK Germany :1
 
 
 
 
1-aminopropan-2-ol
(EINECS) number :201-162-7
RTECS :78-96-6
chemidplus :000078966
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :78-96-6
 
 
 
(2R)-1-aminopropan-2-ol
(EINECS) number :220-532-9
chemidplus :002799168
EPA Substance Registry Services :2799-16-8
 
 
 
(2S)-1-aminopropan-2-ol
(EINECS) number :220-533-4
chemidplus :002799179
EPA Substance Registry Services :2799-17-9
references :
 
1-aminopropan-2-ol
jecfa number :1591
NIST Chemistry WebBook :3366652414
pubchem :149536
 
(2R)-1-aminopropan-2-ol
NIST Chemistry WebBook :2799168
pubchem :699744
 
(2S)-1-aminopropan-2-ol
NIST Chemistry WebBook :2799179
pubchem :45538107
Cosmetics :
Cosmetic uses : buffering agents
other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
FDA Listing of Food Additive Status Part I (A through GView
FDA Listing of Food Additive Status Part II (H through ZView
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
potential uses :
 buffering agents
natural occurrence in :    note
 not found in nature  

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