cumin acetaldehyde
 
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IUPAC name :2-(4-propan-2-ylphenyl)acetaldehyde
InChI :InChI=1/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3
InChIKey :FSKGFRBHGXIDSA-UHFFFAOYAC
SMILES :CC(C)C1=CC=C(C=C1)CC=O
(EINECS) number :224-522-5
cas number :4395-92-0
beilstein number :2246668
fema number :2954
coe number :132
jecfa number :1024
fl. number :05.044
molar refractivity :50.17 ± 0.3 cm3
parachor :407.7 ± 4.0 cm3
index of refraction :1.503 ± 0.02
surface tension :33.3 ± 3.0 dyne/cm
density :0.956 ± 0.06 g/cm3
polarizability :19.89 ± 0.5 10-24cm3
xlogp : 3.30
molecular weight : 162.2282600
formula :C11 H14 O
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :green
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
earthy fern aldehydic green cortex cumin
substantivity :256  Hour(s)
properties : 
appearence :colorless clear oily liquid
assay : 80.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99500 @ 25.00 °C.
refractive index :1.52000 @ 20.00 °C.
boiling point : 243.00 °C. @ 760.00 mm Hg
logp : 3.12
safety : 
Oral Toxicity(LD50) : Oral-Rat    1400.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) :> 200.00  °F.  TCC  ( > 93.33 °C. )
  
recommendation for cumin acetaldehyde usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for cumin acetaldehyde usage levels up to :
  0.5000 ppm in the flavor.
  
safety links : 
(EINECS) number :224-522-5
chemidplus :004395920
epa-srs :4395-92-0
  
other : 
 
references : 
pubchem :197623
  
synonyms :
 cortexal
 cumin acetaldehyde
 cuminic acetaldehyde
 cumyl acetaldehyde
para-cymene-7-carboxaldehyde
4-(1-methyl ethyl) benzene acetaldehyde
4-isopropyl phenyl acetaldehyde
para-isopropyl phenyl acetaldehyde
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
stability :
 alkalis
(odor and/or flavor) blends with :
 heptyl phenyl acetate
(odor and/or flavor) used in :
 arrack
 bark
 cortex
 cucumber
 earth humus
 fern fougere
 foliage
 grass green grass
 green
 leaf
 lemon
 lettuce
 melon watermelon muskmelon cantaloupe
 orange
 privet
 stem
 woodruff asperula
natural occurrence in :
not found in nature



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