tridecanal
 
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IUPAC name :tridecanal
InChI :InChI=1/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
InChIKey :BGEHHAVMRVXCGR-UHFFFAOYAF
SMILES :CCCCCCCCCCCCC=O
(EINECS) number :234-004-0
cas number :10486-19-8
fema number :4335
coe number :10382
fl. number :05.181
molar refractivity :62.46 ± 0.3 cm3
parachor :558.2 ± 4.0 cm3
index of refraction :1.432 ± 0.02
surface tension :29.0 ± 3.0 dyne/cm
density :0.824 ± 0.06 g/cm3
polarizability :24.76 ± 0.5 10-24cm3
xlogp : 6.30
molecular weight : 198.3449400
formula :C13 H26 O
BioActivity Analysis :48414874
 
 
fda reg :unspecified h. number :2912.30.0000
organoleptics : 
odor type :aldehydic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
fresh clean aldehydic soapy citrus petal waxy grapefruit peel
substantivity :400  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82600 - 0.83300 @ 25.00 °C.
pounds per gallon - calc. : 6.873 to 6.931
refractive index :1.43300 - 1.44000 @ 20.00 °C.
melting point : 14.00 °C. @ 760.00 mm Hg
boiling point : 132.00 - 136.00 °C. @ 8.00 mm Hg
boiling point : 110.00 - 113.00 °C. @ 12.00 mm Hg
logp : 5.24
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for tridecanal usage levels up to :
  3.0000 % in the fragrance concentrate.
  
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.
4335 average usual ppmaverage maximum ppm
baked goods : 0.050000.50000
beverages(nonalcoholic) : 1.0000010.00000
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
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 :234-004-0
chemidplus :010486198
epa-srs :10486-19-8
  
other : 
 
references : 
pubchem :168069
NIST Chemistry WebBook :3204470930
  
synonyms :
 aldehyde C-13
 avalone
 avalone m
 tridecanal
 tridecyl aldehyde
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 aldehydic
 citrus
 clean
 flower
 grapefruit
 honey miel
 lilac lilas syringa
 mimosa wattle
 petal waxy petal
 soapy
 violet
natural occurrence in :
data pageangelica seed oil CO2 extract @ 0.50%
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ trace%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ trace%
data pageblood orange oil italy @ trace%
data pagecistus oil @ 0.1%
data pagecoriander leaf oil @ 1.43-1.44%
data pageherniaria incana lam. oil greece @ 5.80%
data pageorange peel oil sweet c.p. blond italy @ trace%
data pageorange peel oil sweet c.p. blond italy @ trace%
data pageorange peel oil sweet c.p. blond italy @ trace%
data pageorange peel oil sweet c.p. blond italy @ trace%
data pageorange peel oil sweet c.p. blond italy @ trace%
data pagewitch hazel leaf oil @ 0.24%



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