octanal propylene glycol acetal
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-heptyl-4-methyl-1,3-dioxolane
InChI :InChI=1/C11H22O2/c1-3-4-5-6-7-8-11-12-9-10(2)13-11/h10-11H,3-9H2,1-2H3
InChIKey :PTJICCHLTNPHDB-UHFFFAOYAQ
SMILES :CCCCCCCC1OCC(O1)C
(EINECS) number :277-712-5
cas number :74094-61-4
fema number :4383
jecfa number :1741
molar refractivity :54.24 ± 0.3 cm3
parachor :491.7 ± 4.0 cm3
index of refraction :1.427 ± 0.02
surface tension :29.5 ± 3.0 dyne/cm
density :0.883 ± 0.06 g/cm3
polarizability :21.50 ± 0.5 10-24cm3
xlogp : 3.90
molecular weight : 186.2911800
formula :C11 H22 O2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
green woody
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88600 - 0.89300 @ 25.00 °C.
pounds per gallon - calc. : 7.372 to 7.431
refractive index :1.42700 - 1.43400 @ 20.00 °C.
boiling point : 236.00 - 237.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 3.45
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 183.00  °F.  TCC  ( 83.89 °C. )
  
recommendation for octanal propylene glycol acetal usage levels up to :
  2.0000 % 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.
4383 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : 1.0000010.00000
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : 10.0000050.00000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : 0.5000010.00000
fish products : --
frozen dairy : 1.0000010.00000
fruit ices : --
gelatins / puddings : 2.0000010.00000
granulated sugar : --
gravies : --
hard candy : 1.6000010.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : 2.0000010.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 1.6000010.00000
soups : --
sugar substitutes : --
sweet sauces : --
safety links : 
(EINECS) number :277-712-5
chemidplus :074094614
epa-srs :74094-61-4
  
other : 
 
references : 
jecfa number :1741
pubchem :3768589
  
synonyms :
 aldehyde C-8 propylene glycol acetal
2-heptyl-4-methyl-1,3-dioxolane
 octanal propylene glycol acetal
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 apple ketal
 bergoxane
 bicyclogermacrene
 birch bud oil
 bornyl salicylate
beta-cadinene
alpha-campholenic aldehyde
isocyclogeraniol
isodihydrolavandulal
 elemi oil
alpha-elemol
beta-eudesmol
isoeugenyl formate
 fresh nitrile
 galbanum oil
 galbanum oleoresin
 galbanum resinoid
 green acetate
(E)-2-hexen-1-yl salicylate
6-hydroxydihydrotheaspirane (mixture of isomers)
 karo karounde absolute
 linalool
para-methyl hydratropaldehyde
alpha-methylene citronellal
 neroli ketone
(Z)-6-nonen-1-al
 nonisyl formate
 oakmoss absolute
beta-ocimene
 octanal propylene glycol acetal
2-octanol
3-octyl acetate
 orange leaf absolute
isopulegol
 spruce needle absolute
 terpinyl propionate
alpha-thujene
 tricyclo(5.2.1.02,6)dec-3-enyl acetate
 valerian absolute
 valerian root oil
 valerian root oil china
 valerian root oil CO2 extract china
(odor and/or flavor) used in :
 green
natural occurrence in :
not found in nature



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