1-octene
 
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IUPAC name :oct-1-ene
InChI :InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InChIKey :KWKAKUADMBZCLK-UHFFFAOYAN
SMILES :CCCCCCC=C
(EINECS) number :203-893-7
cas number :111-66-0
beilstein number :1734497
fema number :4293
fl. number :01.070
molar refractivity :38.83 ± 0.3 cm3
parachor :339.4 ± 4.0 cm3
index of refraction :1.413 ± 0.02
surface tension :22.5 ± 3.0 dyne/cm
density :0.720 ± 0.06 g/cm3
polarizability :15.39 ± 0.5 10-24cm3
xlogp : 4.50
molecular weight : 112.2126400
formula :C8 H16
BioActivity Analysis :74152
 
 
export tariff code :2901.29.1010
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-Aldrich :1-Octene
 98%
 
 

organoleptics :
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 100.00 %.  
gasoline

properties :
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.71500 @ 25.00 °C.
refractive index :1.40800 @ 20.00 °C.
melting point :-101.00 °C. @ 760.00 mm Hg
boiling point : 121.00 - 122.00 °C. @ 760.00 mm Hg
logp : 4.57

safety :
most important hazard(s) : Xn N - Harmful, Dangerous for the environment.
  
Oral Toxicity(LD50) : Oral-Rat    5000.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 70.00  °F.  TCC  ( 21.11 °C. )
  
recommendation for 1-octene 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 : 23.
4293 average usual ppmaverage maximum ppm
baked goods : 0.080000.15000
beverages(nonalcoholic) : 0.080000.15000
beverages(alcoholic) : 0.080000.15000
breakfast cereal : 0.080000.15000
cheese : 0.080000.15000
chewing gum : 0.080000.15000
condiments / relishes : --
confectionery froastings : 0.080000.15000
egg products : --
fats / oils : --
fish products : --
frozen dairy : 0.080000.15000
fruit ices : 0.080000.15000
gelatins / puddings : 0.080000.15000
granulated sugar : --
gravies : 0.080000.15000
hard candy : 0.080000.15000
imitation dairy : 0.080000.15000
instant coffee / tea : --
jams / jellies : 0.080000.15000
meat products : --
milk products : 0.080000.15000
nut products : --
other grains : --
poultry : --
processed fruits : 0.080000.15000
processed vegetables : 0.080000.15000
reconstituted vegetables : 0.080000.15000
seasonings / flavors : 0.080000.15000
snack foods : 0.080000.15000
soft candy : 0.080000.15000
soups : 0.080000.15000
sugar substitutes : --
sweet sauces : --

safety links :
(EINECS) number :203-893-7
chemidplus :000111660
epa-srs :111-66-0
dtp/nci :8457
  
EPI System :Click here

other :
 

references :
fl. number :01.070
pubchem :10504026
NIST Chemistry WebBook :33318614
  
synonyms :
 caprylene
1-caprylene
 oct-1-ene
1-octene
alpha-octene
N-1-octene
1-octylene
soluble in :
 water, 4 mg/L @ 25C
(odor and/or flavor) blends with :
 anisole
 nonane
 octane
natural occurrence in :
not found in nature



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Html Last modified 11/13/2008