heptanal cyclic propylene acetal
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IUPAC name :2-hexyl-4-methyl-1,3-dioxolane
InChI :InChI=1/C10H20O2/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3
InChIKey :GFNFPBSXMBRHRU-UHFFFAOYAP
SMILES :CCCCCCC1OCC(O1)C
cas number :4351-10-4
(EINECS) number :224-413-2
beilstein number :0105323
fema number :4368
jecfa number :1739
molar refractivity :49.61 ± 0.3 cm3
parachor :451.9 ± 4.0 cm3
index of refraction :1.424 ± 0.02
surface tension :29.2 ± 3.0 dyne/cm
density :0.886 ± 0.06 g/cm3
polarizability :19.66 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 172.2646000 (IUPAC)
formula :C10 H20 O2
BioActivity Analysis :72531
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Inoue :HEPTANAL PG ACETAL
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 fatty
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88900 to 0.89500 @ 25.00 °C.
pounds per gallon - calc. : 7.397 to 7.447
refractive index :1.42500 to 1.43000 @ 20.00 °C.
boiling point : 217.00 to 218.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.35000 mm/Hg @ 25.00 °C.
flash point : 165.00  °F.  TCC  ( 73.89 °C. )
logP (o/w) : 2.92
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for heptanal cyclic propylene 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 : --
beverages(nonalcoholic) : 3.0000015.00000
beverages(alcoholic) : 4.0000020.00000
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : 6.0000030.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 5.0000025.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : 6.0000030.00000
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 5.00000-
soups : --
sugar substitutes : --
sweet sauces : --
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
2-hexyl-4-methyl-1,3-dioxolane
(EINECS) number :224-413-2
chemidplus :004351104
EPA Substance Registry Services :4351-10-4
dtp/nci :6566
references :
 
2-hexyl-4-methyl-1,3-dioxolane
jecfa number :1739
pubchem :163179
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 aldehyde C-7 cyclic propylene acetal
 heptanal propylene glycol acetal
 heptanal propyleneglycol acetal
2-hexyl-4-methyl-1,3-dioxolane
soluble in :
 alcohol
insoluble in :
 water
potential blenders :
2,4-decadien-1-alFL/FR
3-decen-2-oneFL/FR
 dihydroxyacetophenoneFL/FR
 dodecanalFL/FR
 dodecanal dimethyl acetalFL/FR
 epoxy-2-decenalFL
 ethyl hexanoateFL/FR
 fresh carbaldehydeFR
 furfuryl hexanoateFL
 guaiyl acetateFL/FR
(E,E)-2,4-heptadien-1-alFL/FR
3-heptanoneFL/FR
(Z)-4-hepten-1-alFL/FR
2-hepten-1-alFL/FR
2-heptyl furanFL
 hexanalFL/FR
 hexanal butane-2,3-diol acetalFL/FR
 hexanal octane-1,3-diol acetalFL/FR
 hexyl (E)-2-hexenoateFL/FR
alpha-hexyl cinnamaldehyde dimethyl acetalFL/FR
 methyl 2-hexenoateFL/FR
 methyl 2-methyl butyrateFL/FR
(E,Z)-2,6-nonadien-1-alFL/FR
2,4-nonadien-1-alFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
2,4-nonadien-1-olFL/FR
(E)-2-nonen-1-alFL/FR
(E,E)-2,4-octadien-1-alFL/FR
(E)-2-octen-1-alFL/FR
2-octen-1-alFL/FR
(E)-2-octen-1-yl acetateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 undecanalFL/FR
potential uses :
 green
natural occurrence in :
 not found in nature  



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