octanal propylene glycol acetal
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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
cas number :74094-61-4
(EINECS) number :277-712-5
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 (IUPAC)
formula :C11 H22 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Need This Molecule?:You can contact the Chemical Sources Association and ask the Sourceress.
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 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88600 to 0.89300 @ 25.00 °C.
pounds per gallon - calc. : 7.372 to 7.431
refractive index :1.42700 to 1.43400 @ 20.00 °C.
boiling point : 236.00 to 237.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.13600 mm/Hg @ 25.00 °C.
flash point : 183.00  °F.  TCC  ( 83.89 °C. )
logP (o/w) : 3.45
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for octanal propylene glycol acetal fragrance 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).
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 : 23
 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 references :
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 
2-heptyl-4-methyl-1,3-dioxolane
(EINECS) number :277-712-5
chemidplus :074094614
EPA Substance Registry Services :74094-61-4
references :
 
2-heptyl-4-methyl-1,3-dioxolane
jecfa number :1741
pubchem :3768589
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 aldehyde C-8 propylene glycol acetal
2-heptyl-4-methyl-1,3-dioxolane
 octanal propyleneglycol acetal
Similar Products:    note
 acetoin propylene glycol acetal
 anisaldehyde propylene glycol acetal
 benzaldehyde propylene glycol acetal
 butyraldehyde propylene glycol acetal
isobutyraldehyde propylene glycol acetal
 cinnamaldehyde propylene glycol acetal
 citral propylene glycol acetal
 cyclamen aldehyde propylene glycol acetal
 decanal propylene glycol acetal
 ethyl vanillin propylene glycol acetal
 furfural propylene glycol acetal
 heliotropyl propylene glycol acetal
 hexanal propylene glycol acetal
(E)-2-hexen-1-al propylene glycol acetal
 hydroxycitronellal propylene glycol acetal
 melon heptenal propylene glycol acetal
6-methyl-5-hepten-2-one propylene glycol acetal
 nonanal propylene glycol acetal
2-nonanone propylene glycol acetal
 perillaldehyde propylene glycol acetal
 phenyl acetaldehyde propylene glycol acetal
para-tolualdehyde propylene glycol acetal
 undecanal propylene glycol acetal
 valeraldehyde propylene glycol acetal
isovaleraldehyde propylene glycol acetal
 vanillin propylene glycol acetal
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 apple ketalFL/FR
 bergoxaneFR
 bicyclogermacrene 
 birch bud oilFL/FR
 bornyl salicylateFR
beta-cadinene 
alpha-campholenic aldehydeFL/FR
isocyclogeraniolFR
isodihydrolavandulalFL/FR
 elemi oilFL/FR
alpha-elemolFL/FR
beta-eudesmol 
isoeugenyl formateFL/FR
 fresh nitrileFR
 galbanum oilFL/FR
 galbanum oleoresinFL
 galbanum resinoidFR
 green acetateFR
(E)-2-hexen-1-yl salicylateFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 karo karounde absoluteFR
 linaloolFL/FR
para-methyl hydratropaldehydeFL/FR
alpha-methylene citronellalFR
 neroli ketoneFL/FR
(Z)-6-nonen-1-alFL/FR
 nonisyl formateFR
 oakmoss absoluteFL/FR
beta-ocimeneFL/FR
 octanal propylene glycol acetalFL/FR
2-octanolFL/FR
3-octyl acetateFL/FR
 orange leaf absoluteFL/FR
isopulegolFL/FR
 spruce needle absoluteFL/FR
 terpinyl propionateFL/FR
alpha-thujene 
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
 valerian absoluteFL/FR
 valerian root oilFL/FR
 valerian root oil chinaFL/FR
 valerian root oil CO2 extract chinaFL/FR
potential uses :
 absinthe
 agrumen
 algae
 amaryllis
 apple green apple
 artichoke
 asafoetida
 asparagus
 avocado
 basil
 boxwood
 boxwood blossom
 boxwoodberry
 cajuput
 carrot
 carrot seed
 cassie acacia farnesiana
 cassis black currant bud
 celery
 chamomile
 cilantro
 clary sage
 clematis
 cognac
 cortex
 costus
 cucumber
 daffodil narcissus
 dill
 elemi
 evergreen
 fennel
 fern fougere
 fig
 fir
 fir balsam
 foliage
 galbanum
 geranium
 grass
 grass green grass
 green
 guava
 hops houblon
 hyacinth jacinthe
 hydrangea
 ivy leaf
 jonquil narcissus jonquilla
 leaf
 leaf green leaf
 lettuce
 liverwort
 lotus
 marjoram
 mimosa wattle
 narcissus narcisse
 oregano
 pansy
 parsley
 pea green pea
 pear prickly pear
 pepper bell pepper
 pine scotch pine
 privet
 privet blossom
 reseda mignonette
 rhubarb
 rootbeer
 rose geranium
 rose leaf
 stem
 strawberry leaf
 tomato
 tomato leaf
 valerian
 vegetable
 vegetation tropical hothouse vegetation
 vine
 violet leaf
 weedy
 wintergreen
 wormwood absinthium
 yew
natural occurrence in :    note
 not found in nature  

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